mspurity_frag4feature: test-data/createMSP_output_av

annotate test-data/createMSP_output_av_all.msp @ 0:cdf48fd76e98 draft

planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty

author	tomnl
date	Fri, 24 May 2019 09:04:36 -0400
parents
children	8adaadc37c25

rev	line source
0 cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1 RECORD_TITLE: MZ:112.0508 \| RT:67.5 \| grpid:12 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4 XCMS groupid (grpid): 12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	6 PK$NUM_PEAK: 2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	7 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	8 112.050884246826 502873.46875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	9 126.53768157959 2499.31469726562 0.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	10
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	11 RECORD_TITLE: MZ:112.0508 \| RT:67.5 \| grpid:12 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	12 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	13 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	14 XCMS groupid (grpid): 12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	15 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	16 PK$NUM_PEAK: 2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	17 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	18 112.050884246826 502873.46875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	19 126.53768157959 2499.31469726562 0.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	20
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	21 RECORD_TITLE: MZ:113.0354 \| RT:83.4 \| grpid:14 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	22 MS$FOCUSED_ION: PRECURSOR_M/Z 113.03541992282
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	23 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	24 XCMS groupid (grpid): 14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	25 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	26 PK$NUM_PEAK: 2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	27 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	28 112.999992370605 67035.0703125 0.63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	29 113.03479385376 10613844.25 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	30
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	31 RECORD_TITLE: MZ:113.0354 \| RT:83.4 \| grpid:14 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	32 MS$FOCUSED_ION: PRECURSOR_M/Z 113.03541992282
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	33 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	34 XCMS groupid (grpid): 14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	35 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	36 PK$NUM_PEAK: 2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	37 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	38 112.999992370605 67035.0703125 0.63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	39 113.03479385376 10613844.25 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	40
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	41 RECORD_TITLE: MZ:116.0706 \| RT:47.7 \| grpid:17 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	42 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070637437099
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	43 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	44 XCMS groupid (grpid): 17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	45 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	46 PK$NUM_PEAK: 3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	47 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	48 116.016609191895 4434.369140625 2.81
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	49 116.070896148682 157547.453125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	50 116.107261657715 6152.61499023438 3.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	52 RECORD_TITLE: MZ:116.0706 \| RT:47.7 \| grpid:17 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	53 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070637437099
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	54 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	55 XCMS groupid (grpid): 17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	56 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	57 PK$NUM_PEAK: 3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	58 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	59 116.016609191895 4434.369140625 2.81
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	60 116.070896148682 157547.453125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	61 116.107261657715 6152.61499023438 3.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	63 RECORD_TITLE: MZ:132.1018 \| RT:73.5 \| grpid:41 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	64 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101827805179
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	65 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	66 XCMS groupid (grpid): 41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	67 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	68 PK$NUM_PEAK: 1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	69 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	70 132.102035522461 338114.46875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	72 RECORD_TITLE: MZ:132.1018 \| RT:73.5 \| grpid:41 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	73 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101827805179
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	74 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	75 XCMS groupid (grpid): 41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	76 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	77 PK$NUM_PEAK: 1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	78 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	79 132.102035522461 338114.46875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	80
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	81 RECORD_TITLE: MZ:137.0456 \| RT:127 \| grpid:47 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	82 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045578757527
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	83 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	84 XCMS groupid (grpid): 47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	85 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	86 PK$NUM_PEAK: 4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	87 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	88 110.035266876221 290341.673828125 4.45
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	89 112.050743103027 12029.1610107422 0.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	90 119.035442352295 200743.407226562 3.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	91 137.045837402344 6519742.5 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	93 RECORD_TITLE: MZ:137.0456 \| RT:127 \| grpid:47 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	94 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045578757527
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	95 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	96 XCMS groupid (grpid): 47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	97 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	98 PK$NUM_PEAK: 4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	99 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	100 110.035266876221 290341.673828125 4.45
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	101 112.050743103027 12029.1610107422 0.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	102 119.035442352295 200743.407226562 3.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	103 137.045837402344 6519742.5 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	104
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	105 RECORD_TITLE: MZ:138.0547 \| RT:50.7 \| grpid:48 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	106 MS$FOCUSED_ION: PRECURSOR_M/Z 138.05471057982
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	107 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	108 XCMS groupid (grpid): 48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	109 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	110 PK$NUM_PEAK: 2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	111 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	112 110.060352325439 34625.283203125 7.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	113 138.054901123047 455046.234375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	114
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	115 RECORD_TITLE: MZ:138.0547 \| RT:50.7 \| grpid:48 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	116 MS$FOCUSED_ION: PRECURSOR_M/Z 138.05471057982
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	117 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	118 XCMS groupid (grpid): 48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	119 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	120 PK$NUM_PEAK: 2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	121 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	122 110.060352325439 34625.283203125 7.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	123 138.054901123047 455046.234375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	124
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	125 RECORD_TITLE: MZ:138.0487 \| RT:127 \| grpid:49 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	126 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048727400006
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	127 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	128 XCMS groupid (grpid): 49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	129 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	130 PK$NUM_PEAK: 8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	131 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	132 110.035133361816 4197.11962890625 0.87
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	133 111.032066345215 3606.22302246094 0.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	134 111.038753509521 22056.884765625 4.56
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	135 120.031585693359 3442.69409179688 0.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	136 120.038921356201 14920.083984375 3.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	137 131.267166137695 2650.74243164062 0.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	138 137.396865844727 3584.59228515625 0.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	139 138.050010681152 483746.53125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	140
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	141 RECORD_TITLE: MZ:138.0487 \| RT:127 \| grpid:49 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	142 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048727400006
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	143 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	144 XCMS groupid (grpid): 49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	145 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	146 PK$NUM_PEAK: 8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	147 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	148 110.035133361816 4197.11962890625 0.87
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	149 111.032066345215 3606.22302246094 0.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	150 111.038753509521 22056.884765625 4.56
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	151 120.031585693359 3442.69409179688 0.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	152 120.038921356201 14920.083984375 3.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	153 131.267166137695 2650.74243164062 0.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	154 137.396865844727 3584.59228515625 0.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	155 138.050010681152 483746.53125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	156
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	157 RECORD_TITLE: MZ:140.0678 \| RT:46.2 \| grpid:51 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	158 MS$FOCUSED_ION: PRECURSOR_M/Z 140.067802644286
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	159 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	160 XCMS groupid (grpid): 51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	161 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	162 PK$NUM_PEAK: 4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	163 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	164 108.959754943848 2408.8056640625 0.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	165 114.089179992676 568595.515625 10.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	166 140.06812286377 5286829.375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	167 143.032638549805 2735.88037109375 0.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	168
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	169 RECORD_TITLE: MZ:140.0678 \| RT:46.2 \| grpid:51 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	170 MS$FOCUSED_ION: PRECURSOR_M/Z 140.067802644286
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	171 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	172 XCMS groupid (grpid): 51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	173 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	174 PK$NUM_PEAK: 4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	175 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	176 108.959754943848 2408.8056640625 0.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	177 114.089179992676 568595.515625 10.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	178 140.06812286377 5286829.375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	179 143.032638549805 2735.88037109375 0.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	180
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	181 RECORD_TITLE: MZ:146.1174 \| RT:46.2 \| grpid:62 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	182 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117395027245
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	183 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	184 XCMS groupid (grpid): 62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	185 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	186 PK$NUM_PEAK: 9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	187 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	188 100.021862030029 18680.7416992188 1.56
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	189 108.055770874023 9930.2236328125 0.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	190 118.06534576416 13944.4609375 1.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	191 128.070503234863 21271.6337890625 1.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	192 130.049789428711 3144.66137695312 0.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	193 130.086532592773 3415.60205078125 0.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	194 146.028373718262 7016.0517578125 0.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	195 146.059921264648 10817.2392578125 0.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	196 146.117546081543 1193844 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	197
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	198 RECORD_TITLE: MZ:146.1174 \| RT:46.2 \| grpid:62 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	199 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117395027245
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	200 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	201 XCMS groupid (grpid): 62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	202 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	203 PK$NUM_PEAK: 9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	204 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	205 100.021862030029 18680.7416992188 1.56
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	206 108.055770874023 9930.2236328125 0.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	207 118.06534576416 13944.4609375 1.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	208 128.070503234863 21271.6337890625 1.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	209 130.049789428711 3144.66137695312 0.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	210 130.086532592773 3415.60205078125 0.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	211 146.028373718262 7016.0517578125 0.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	212 146.059921264648 10817.2392578125 0.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	213 146.117546081543 1193844 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	214
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	215 RECORD_TITLE: MZ:147.0438 \| RT:70.5 \| grpid:63 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	216 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043849698061
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	217 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	218 XCMS groupid (grpid): 63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	219 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	220 PK$NUM_PEAK: 12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	221 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	222 101.071311950684 3386.74780273438 0.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	223 102.055267333984 4384.31787109375 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	224 103.054622650146 211069.8828125 6.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	225 119.049335479736 3319974.875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	226 120.011459350586 3004.84851074219 0.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	227 129.070129394531 3654.64453125 0.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	228 130.050025939941 67427.23828125 2.03
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	229 130.086265563965 95351.70703125 2.87
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	230 147.043975830078 940372.3125 28.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	231 147.112724304199 9610.06469726562 0.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	232 160.075386047363 7738.67065429688 0.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	233 160.076179504395 3540.6630859375 0.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	234
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	235 RECORD_TITLE: MZ:147.0438 \| RT:70.5 \| grpid:63 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	236 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043849698061
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	237 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	238 XCMS groupid (grpid): 63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	239 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	240 PK$NUM_PEAK: 12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	241 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	242 101.071311950684 3386.74780273438 0.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	243 102.055267333984 4384.31787109375 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	244 103.054622650146 211069.8828125 6.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	245 119.049335479736 3319974.875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	246 120.011459350586 3004.84851074219 0.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	247 129.070129394531 3654.64453125 0.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	248 130.050025939941 67427.23828125 2.03
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	249 130.086265563965 95351.70703125 2.87
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	250 147.043975830078 940372.3125 28.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	251 147.112724304199 9610.06469726562 0.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	252 160.075386047363 7738.67065429688 0.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	253 160.076179504395 3540.6630859375 0.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	254
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	255 RECORD_TITLE: MZ:148.0427 \| RT:64.4 \| grpid:66 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	256 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042683925669
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	257 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	258 XCMS groupid (grpid): 66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	259 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	260 PK$NUM_PEAK: 19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	261 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	262 102.001239776611 494904.296875 28.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	263 102.037693023682 32286.736328125 1.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	264 102.055305480957 25863.833984375 1.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	265 102.902954101562 2297.19018554688 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	266 103.082748413086 2655.95483398438 0.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	267 120.011615753174 1759045.5 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	268 122.01634979248 2559.43994140625 0.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	269 130.050086975098 16121.740234375 0.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	270 130.086097717285 5192.6826171875 0.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	271 131.052658081055 3329.10791015625 0.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	272 131.053466796875 4939.97802734375 0.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	273 131.089218139648 4804.13818359375 0.27
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	274 131.089935302734 3828.04296875 0.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	275 133.019264221191 32773.8134765625 1.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	276 134.02668762207 3603.13940429688 0.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	277 134.027465820312 5199.03125 0.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	278 148.042625427246 1528721.5625 86.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	279 157.48600769043 2885.98486328125 0.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	280 160.701766967773 2493.13793945312 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	281
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	282 RECORD_TITLE: MZ:148.0427 \| RT:64.4 \| grpid:66 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	283 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042683925669
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	284 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	285 XCMS groupid (grpid): 66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	286 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	287 PK$NUM_PEAK: 19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	288 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	289 102.001239776611 494904.296875 28.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	290 102.037693023682 32286.736328125 1.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	291 102.055305480957 25863.833984375 1.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	292 102.902954101562 2297.19018554688 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	293 103.082748413086 2655.95483398438 0.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	294 120.011615753174 1759045.5 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	295 122.01634979248 2559.43994140625 0.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	296 130.050086975098 16121.740234375 0.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	297 130.086097717285 5192.6826171875 0.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	298 131.052658081055 3329.10791015625 0.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	299 131.053466796875 4939.97802734375 0.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	300 131.089218139648 4804.13818359375 0.27
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	301 131.089935302734 3828.04296875 0.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	302 133.019264221191 32773.8134765625 1.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	303 134.02668762207 3603.13940429688 0.2
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	305 148.042625427246 1528721.5625 86.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	306 157.48600769043 2885.98486328125 0.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	307 160.701766967773 2493.13793945312 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	308
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	309 RECORD_TITLE: MZ:149.0263 \| RT:91.2 \| grpid:67 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	310 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026338801704
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	311 AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	312 XCMS groupid (grpid): 67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	313 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	314 PK$NUM_PEAK: 25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	315 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	316 104.016593933105 35712.279296875 1.48
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	319 111.011154174805 2415346 100
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	322 115.005714416504 3792.97241210938 0.16
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	324 120.011371612549 254724.15625 10.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	325 121.015331268311 3790.49938964844 0.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	326 121.028656005859 78045.68359375 3.23
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	328 121.065780639648 3160.08813476562 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	329 125.026542663574 18349.87890625 0.76
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	333 134.026878356934 154087.6953125 6.38
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	337 149.026321411133 1661629.9375 68.79
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	339 153.007194519043 11686.4731445312 0.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	340 158.012702941895 18203.15625 0.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	341
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	342 RECORD_TITLE: MZ:149.0263 \| RT:91.2 \| grpid:67 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	343 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026338801704
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	344 AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	345 XCMS groupid (grpid): 67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	346 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	347 PK$NUM_PEAK: 25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	348 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	349 104.016593933105 35712.279296875 1.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	350 109.031856536865 23852.3662109375 0.99
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	352 111.011154174805 2415346 100
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	375 RECORD_TITLE: MZ:150.0582 \| RT:62.9 \| grpid:68 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	376 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058153535588
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	377 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	379 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	380 PK$NUM_PEAK: 9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	381 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	382 102.055404663086 2102817.74414062 29.74
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	384 105.000953674316 163845.359375 2.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	385 105.037208557129 269623.984375 3.81
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	386 122.007400512695 14145.4965820312 0.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	387 133.031852722168 4773374.58984375 67.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	388 150.027221679688 17690.6416015625 0.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	389 150.038208007812 13696.380859375 0.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	390 150.058143615723 855957.834960938 12.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	391
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	392 RECORD_TITLE: MZ:150.0582 \| RT:62.9 \| grpid:68 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	393 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058153535588
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	394 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	395 XCMS groupid (grpid): 68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	396 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	397 PK$NUM_PEAK: 9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	398 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	399 102.055404663086 2102817.74414062 29.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	400 104.053256988525 7070166.28125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	401 105.000953674316 163845.359375 2.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	402 105.037208557129 269623.984375 3.81
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	403 122.007400512695 14145.4965820312 0.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	404 133.031852722168 4773374.58984375 67.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	405 150.027221679688 17690.6416015625 0.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	406 150.038208007812 13696.380859375 0.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	407 150.058143615723 855957.834960938 12.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	408
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	409 RECORD_TITLE: MZ:153.0407 \| RT:84.2 \| grpid:72 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	410 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040721562011
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	411 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	412 XCMS groupid (grpid): 72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	413 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	414 PK$NUM_PEAK: 11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	415 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	416 107.085746765137 9505.548828125 0.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	417 108.019435882568 11101.5715332031 0.49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	418 110.035232543945 821798 36.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	419 116.986114501953 5402.39453125 0.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	420 128.04557800293 186179.359375 8.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	421 134.996383666992 6738.5830078125 0.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	422 135.030151367188 10761.2744140625 0.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	423 136.01416015625 548141.125 24.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	424 153.04069519043 2264089.75 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	425 153.127258300781 12641.9697265625 0.56
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	426 154.024642944336 1115687.625 49.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	427
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	428 RECORD_TITLE: MZ:153.0407 \| RT:84.2 \| grpid:72 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	429 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040721562011
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	430 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	431 XCMS groupid (grpid): 72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	432 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	433 PK$NUM_PEAK: 11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	434 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	435 107.085746765137 9505.548828125 0.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	436 108.019435882568 11101.5715332031 0.49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	437 110.035232543945 821798 36.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	438 116.986114501953 5402.39453125 0.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	439 128.04557800293 186179.359375 8.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	440 134.996383666992 6738.5830078125 0.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	441 135.030151367188 10761.2744140625 0.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	442 136.01416015625 548141.125 24.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	443 153.04069519043 2264089.75 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	444 153.127258300781 12641.9697265625 0.56
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	445 154.024642944336 1115687.625 49.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	446
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	447 RECORD_TITLE: MZ:156.0762 \| RT:47.7 \| grpid:75 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	448 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076172444314
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	449 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	450 XCMS groupid (grpid): 75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	451 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	452 PK$NUM_PEAK: 4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	453 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	454 110.071617126465 233920.765625 49.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	455 111.068431854248 75318.78125 15.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	456 111.075000762939 474849.578125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	457 157.080718994141 80493.08203125 16.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	458
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	459 RECORD_TITLE: MZ:156.0762 \| RT:47.7 \| grpid:75 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	460 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076172444314
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	461 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	462 XCMS groupid (grpid): 75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	463 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	464 PK$NUM_PEAK: 4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	465 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	466 110.071617126465 233920.765625 49.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	467 111.068431854248 75318.78125 15.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	468 111.075000762939 474849.578125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	469 157.080718994141 80493.08203125 16.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	470
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	471 RECORD_TITLE: MZ:158.0912 \| RT:43.9 \| grpid:77 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	472 MS$FOCUSED_ION: PRECURSOR_M/Z 158.091194778484
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	473 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	474 XCMS groupid (grpid): 77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	475 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	476 PK$NUM_PEAK: 16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	477 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	478 102.091789245605 36397.75 12.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	479 107.244758605957 2121.91967773438 0.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	480 110.071487426758 4605.98937988281 1.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	481 112.079177856445 4014.5673828125 1.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	482 112.087253570557 135874.2734375 45.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	483 113.071388244629 4898.7001953125 1.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	484 115.08674621582 2881.50634765625 0.97
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	485 116.070934295654 40194.537109375 13.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	486 131.929992675781 2230.50756835938 0.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	487 141.065773010254 8455.18334960938 2.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	488 154.506774902344 2119.57861328125 0.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	489 158.092407226562 298314.3125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	490 158.153930664062 75786.8203125 25.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	491 158.583435058594 2426.4375 0.81
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	492 159.07698059082 3112.70642089844 1.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	493 159.090621948242 2369.67138671875 0.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	494
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	495 RECORD_TITLE: MZ:158.0912 \| RT:43.9 \| grpid:77 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	496 MS$FOCUSED_ION: PRECURSOR_M/Z 158.091194778484
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	497 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	498 XCMS groupid (grpid): 77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	499 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	500 PK$NUM_PEAK: 16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	501 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	502 102.091789245605 36397.75 12.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	503 107.244758605957 2121.91967773438 0.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	504 110.071487426758 4605.98937988281 1.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	505 112.079177856445 4014.5673828125 1.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	506 112.087253570557 135874.2734375 45.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	507 113.071388244629 4898.7001953125 1.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	508 115.08674621582 2881.50634765625 0.97
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	509 116.070934295654 40194.537109375 13.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	510 131.929992675781 2230.50756835938 0.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	511 141.065773010254 8455.18334960938 2.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	512 154.506774902344 2119.57861328125 0.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	513 158.092407226562 298314.3125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	514 158.153930664062 75786.8203125 25.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	515 158.583435058594 2426.4375 0.81
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	516 159.07698059082 3112.70642089844 1.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	517 159.090621948242 2369.67138671875 0.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	518
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	519 RECORD_TITLE: MZ:164.93 \| RT:40.2 \| grpid:88 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	520 MS$FOCUSED_ION: PRECURSOR_M/Z 164.929981664987
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	521 AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	522 XCMS groupid (grpid): 88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	523 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	524 PK$NUM_PEAK: 4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	525 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	526 113.554153442383 2184.888671875 0.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	527 140.266235351562 2726.23486328125 0.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	528 164.930236816406 1078114.4375 100
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	530
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	531 RECORD_TITLE: MZ:164.93 \| RT:40.2 \| grpid:88 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	532 MS$FOCUSED_ION: PRECURSOR_M/Z 164.929981664987
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	533 AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	534 XCMS groupid (grpid): 88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	535 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	536 PK$NUM_PEAK: 4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	537 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	538 113.554153442383 2184.888671875 0.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	539 140.266235351562 2726.23486328125 0.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	540 164.930236816406 1078114.4375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	541 165.09033203125 2780.28442382812 0.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	542
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	543 RECORD_TITLE: MZ:165.0545 \| RT:70.5 \| grpid:89 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	544 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054460611227
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	545 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	546 XCMS groupid (grpid): 89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	547 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	548 PK$NUM_PEAK: 11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	549 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	550 103.054641723633 223038.375 4.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	551 105.04483795166 33739.1015625 0.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	552 107.049537658691 8096.30053710938 0.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	553 109.065132141113 162532.046875 3.07
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	562 RECORD_TITLE: MZ:165.0545 \| RT:70.5 \| grpid:89 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	563 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054460611227
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	564 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	565 XCMS groupid (grpid): 89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	566 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	567 PK$NUM_PEAK: 11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	568 PK$PEAK: m/z int. rel.int.
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	578 164.0703125 23256.6977539062 0.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	579 165.054550170898 263223.46875 4.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	580
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	581 RECORD_TITLE: MZ:170.0922 \| RT:61.4 \| grpid:97 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	582 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092213123268
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	583 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	584 XCMS groupid (grpid): 97
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	585 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	586 PK$NUM_PEAK: 10
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	587 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	588 107.060688018799 14660.7255859375 0.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	589 109.076351165771 923208.21875 16.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	590 124.087059020996 5558419.25 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	591 125.071048736572 100519.60546875 1.81
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	592 126.102546691895 26511.75390625 0.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	593 152.082061767578 7487.27587890625 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	594 153.064727783203 5492.046875 0.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	595 153.06559753418 15973.048828125 0.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	596 153.074935913086 12192.38671875 0.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	597 170.092346191406 1250927.875 22.51
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	599 RECORD_TITLE: MZ:170.0922 \| RT:61.4 \| grpid:97 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	600 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092213123268
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	601 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	602 XCMS groupid (grpid): 97
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	603 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	604 PK$NUM_PEAK: 10
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	605 PK$PEAK: m/z int. rel.int.
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	607 109.076351165771 923208.21875 16.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	608 124.087059020996 5558419.25 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	609 125.071048736572 100519.60546875 1.81
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	617 RECORD_TITLE: MZ:178.0573 \| RT:45.4 \| grpid:106 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	618 MS$FOCUSED_ION: PRECURSOR_M/Z 178.057265428919
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	619 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	620 XCMS groupid (grpid): 106
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	621 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	622 PK$NUM_PEAK: 11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	623 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	624 105.042713165283 16808.7358398438 1.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	625 119.994201660156 3506.71118164062 0.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	626 132.053298950195 6451.77587890625 0.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	627 133.037307739258 324738.65625 21.5
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	633 178.058639526367 1510599.6875 100
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	636 RECORD_TITLE: MZ:178.0573 \| RT:45.4 \| grpid:106 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	637 MS$FOCUSED_ION: PRECURSOR_M/Z 178.057265428919
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	638 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	639 XCMS groupid (grpid): 106
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	640 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	641 PK$NUM_PEAK: 11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	642 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	643 105.042713165283 16808.7358398438 1.11
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	652 178.058639526367 1510599.6875 100
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	655 RECORD_TITLE: MZ:182.081 \| RT:70.5 \| grpid:114 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	656 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080982868609
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	657 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	658 XCMS groupid (grpid): 114
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	659 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	660 PK$NUM_PEAK: 12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	661 PK$PEAK: m/z int. rel.int.
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	674
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	675 RECORD_TITLE: MZ:182.081 \| RT:70.5 \| grpid:114 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	676 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080982868609
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	677 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	678 XCMS groupid (grpid): 114
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	679 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	680 PK$NUM_PEAK: 12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	681 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	682 103.054626464844 90547.6875 1.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	683 107.049423217773 74543.10546875 1.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	684 109.065078735352 77452.88671875 1.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	685 118.065284729004 85867.380859375 1.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	686 119.049385070801 2422319.75 36.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	687 121.064929962158 103105.48046875 1.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	688 123.044235229492 4009931.625 60.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	689 136.075675964355 6642431.25 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	690 137.059692382812 46709.8984375 0.7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	691 147.043960571289 1402341.625 21.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	692 165.054588317871 2636735 39.7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	693 182.081047058105 262947.3671875 3.96
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	694
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	695 RECORD_TITLE: MZ:189.1238 \| RT:49.2 \| grpid:127 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	696 MS$FOCUSED_ION: PRECURSOR_M/Z 189.123836918215
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	697 AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	698 XCMS groupid (grpid): 127
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	699 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	700 PK$NUM_PEAK: 17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	701 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	702 115.086891174316 12369.7568359375 8.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	703 116.070854187012 90257.0703125 58.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	704 118.086570739746 154277.84765625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	705 129.102462768555 14589.509765625 9.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	706 130.086441040039 16181.8889160156 10.49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	707 133.097732543945 11934.60546875 7.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	708 143.117973327637 42723.603515625 27.69
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	709 144.113090515137 38923.36328125 25.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	710 158.09294128418 10558.861328125 6.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	711 172.108360290527 9562.09716796875 6.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	712 183.845306396484 3709.67822265625 2.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	713 189.122100830078 29789.7734375 19.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	714 189.123382568359 82376.6484375 53.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	715 189.135848999023 52375.484375 33.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	716 189.136917114258 98533.8515625 63.87
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	717 189.159866333008 3757.07299804688 2.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	718 207.453216552734 2729.31713867188 1.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	719
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	720 RECORD_TITLE: MZ:189.1238 \| RT:49.2 \| grpid:127 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	721 MS$FOCUSED_ION: PRECURSOR_M/Z 189.123836918215
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	722 AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	723 XCMS groupid (grpid): 127
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	724 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	725 PK$NUM_PEAK: 17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	726 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	727 115.086891174316 12369.7568359375 8.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	728 116.070854187012 90257.0703125 58.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	729 118.086570739746 154277.84765625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	730 129.102462768555 14589.509765625 9.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	731 130.086441040039 16181.8889160156 10.49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	732 133.097732543945 11934.60546875 7.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	733 143.117973327637 42723.603515625 27.69
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	734 144.113090515137 38923.36328125 25.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	735 158.09294128418 10558.861328125 6.84
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	738 189.122100830078 29789.7734375 19.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	739 189.123382568359 82376.6484375 53.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	740 189.135848999023 52375.484375 33.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	741 189.136917114258 98533.8515625 63.87
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	742 189.159866333008 3757.07299804688 2.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	743 207.453216552734 2729.31713867188 1.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	744
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	745 RECORD_TITLE: MZ:191.0419 \| RT:41.7 \| grpid:131 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	746 MS$FOCUSED_ION: PRECURSOR_M/Z 191.041908724489
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	747 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	748 XCMS groupid (grpid): 131
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	749 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	750 PK$NUM_PEAK: 11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	751 PK$PEAK: m/z int. rel.int.
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	764 RECORD_TITLE: MZ:191.0419 \| RT:41.7 \| grpid:131 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	765 MS$FOCUSED_ION: PRECURSOR_M/Z 191.041908724489
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	766 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	767 XCMS groupid (grpid): 131
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	768 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	769 PK$NUM_PEAK: 11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	770 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	771 102.055397033691 6061.30029296875 0.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	772 111.853385925293 4386.8701171875 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	773 115.874839782715 4441.072265625 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	774 116.986557006836 4422.6650390625 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	775 120.003273010254 7490.83056640625 0.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	776 120.065788269043 36437.609375 1.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	777 130.024032592773 6415.89990234375 0.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	778 133.80451965332 5088.212890625 0.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	779 173.029708862305 610622 18.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	780 191.040267944336 3217774.75 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	781 191.076446533203 999525 31.06
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	782
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	783 RECORD_TITLE: MZ:192.07 \| RT:121.8 \| grpid:134 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	784 MS$FOCUSED_ION: PRECURSOR_M/Z 192.070004316993
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	785 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	786 XCMS groupid (grpid): 134
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	787 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	788 PK$NUM_PEAK: 9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	789 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	790 102.055397033691 3442.68041992188 4.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	791 104.053359985352 70038.1953125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	792 133.031921386719 29066.0625 41.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	793 144.065444946289 54286.5 77.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	794 146.063888549805 4671.99365234375 6.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	795 150.05842590332 24492.08984375 34.97
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	796 171.473907470703 2700.43920898438 3.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	797 181.562118530273 2402.322265625 3.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	798 193.007995605469 2239.99389648438 3.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	799
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	800 RECORD_TITLE: MZ:192.07 \| RT:121.8 \| grpid:134 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	801 MS$FOCUSED_ION: PRECURSOR_M/Z 192.070004316993
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	802 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	803 XCMS groupid (grpid): 134
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	804 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	805 PK$NUM_PEAK: 9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	806 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	807 102.055397033691 3442.68041992188 4.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	808 104.053359985352 70038.1953125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	809 133.031921386719 29066.0625 41.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	810 144.065444946289 54286.5 77.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	811 146.063888549805 4671.99365234375 6.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	812 150.05842590332 24492.08984375 34.97
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	813 171.473907470703 2700.43920898438 3.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	814 181.562118530273 2402.322265625 3.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	815 193.007995605469 2239.99389648438 3.2
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	817 RECORD_TITLE: MZ:194.034 \| RT:45.4 \| grpid:136 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	818 MS$FOCUSED_ION: PRECURSOR_M/Z 194.033955868316
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	819 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	820 XCMS groupid (grpid): 136
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	821 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	822 PK$NUM_PEAK: 7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	823 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	824 103.315864562988 2078.95581054688 57.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	825 125.504974365234 2372.77172851562 65.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	826 141.887588500977 2384.751953125 65.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	827 146.027267456055 2972.51196289062 81.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	828 158.080490112305 2836.72119140625 77.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	829 158.081451416016 3618.328125 99.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	830 194.03254699707 3640.81140136719 100
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	832 RECORD_TITLE: MZ:194.034 \| RT:45.4 \| grpid:136 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	833 MS$FOCUSED_ION: PRECURSOR_M/Z 194.033955868316
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	834 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	835 XCMS groupid (grpid): 136
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	836 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	837 PK$NUM_PEAK: 7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	838 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	839 103.315864562988 2078.95581054688 57.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	840 125.504974365234 2372.77172851562 65.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	841 141.887588500977 2384.751953125 65.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	842 146.027267456055 2972.51196289062 81.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	843 158.080490112305 2836.72119140625 77.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	844 158.081451416016 3618.328125 99.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	845 194.03254699707 3640.81140136719 100
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	847 RECORD_TITLE: MZ:200.039 \| RT:43.9 \| grpid:143 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	848 MS$FOCUSED_ION: PRECURSOR_M/Z 200.039036175676
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	849 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	850 XCMS groupid (grpid): 143
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	851 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	852 PK$NUM_PEAK: 16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	853 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	854 112.010238647461 2995.43188476562 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	855 117.042625427246 5699.3125 0.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	856 117.987670898438 69695.6328125 3.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	857 123.095741271973 2928.32397460938 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	858 127.032516479492 12711.5666503906 0.62
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	866 182.029487609863 5125.34423828125 0.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	867 183.013626098633 4026.23034667969 0.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	868 200.040573120117 2066456.25 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	869 207.421112060547 3210.24487304688 0.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	870
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	871 RECORD_TITLE: MZ:200.039 \| RT:43.9 \| grpid:143 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	872 MS$FOCUSED_ION: PRECURSOR_M/Z 200.039036175676
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	873 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	874 XCMS groupid (grpid): 143
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	875 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	876 PK$NUM_PEAK: 16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	877 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	878 112.010238647461 2995.43188476562 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	879 117.042625427246 5699.3125 0.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	880 117.987670898438 69695.6328125 3.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	881 123.095741271973 2928.32397460938 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	882 127.032516479492 12711.5666503906 0.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	883 132.053337097168 38099.525390625 1.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	884 140.045013427734 2847.90087890625 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	885 140.994979858398 36973.73828125 1.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	886 142.598937988281 2839.74487304688 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	887 146.361755371094 2998.41796875 0.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	888 154.03507232666 12881.8227539062 0.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	889 155.018844604492 3944.63305664062 0.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	890 182.029487609863 5125.34423828125 0.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	891 183.013626098633 4026.23034667969 0.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	892 200.040573120117 2066456.25 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	893 207.421112060547 3210.24487304688 0.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	894
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	895 RECORD_TITLE: MZ:203.139 \| RT:72 \| grpid:150 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	896 MS$FOCUSED_ION: PRECURSOR_M/Z 203.139004267186
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	897 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	898 XCMS groupid (grpid): 150
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	899 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	900 PK$NUM_PEAK: 5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	901 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	902 116.071044921875 14099.0009765625 4.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	903 132.101974487305 343618 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	904 157.133575439453 56453.6533203125 16.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	905 161.096313476562 8885.09887695312 2.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	906 203.152633666992 15789.306640625 4.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	907
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	908 RECORD_TITLE: MZ:203.139 \| RT:72 \| grpid:150 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	909 MS$FOCUSED_ION: PRECURSOR_M/Z 203.139004267186
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	910 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	911 XCMS groupid (grpid): 150
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	912 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	913 PK$NUM_PEAK: 5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	914 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	915 116.071044921875 14099.0009765625 4.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	916 132.101974487305 343618 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	917 157.133575439453 56453.6533203125 16.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	918 161.096313476562 8885.09887695312 2.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	919 203.152633666992 15789.306640625 4.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	920
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	921 RECORD_TITLE: MZ:204.1213 \| RT:56.8 \| grpid:152 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	922 MS$FOCUSED_ION: PRECURSOR_M/Z 204.121345376641
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	923 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	924 XCMS groupid (grpid): 152
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	925 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	926 PK$NUM_PEAK: 8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	927 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	928 103.039379119873 13124.6179199219 2.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	929 117.074264526367 58102.080078125 9.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	930 126.055145263672 55148.140625 8.94
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	931 138.054885864258 67726.322265625 10.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	932 144.065483093262 24073.7080078125 3.9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	933 144.101837158203 81904.890625 13.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	934 145.049514770508 242301.34375 39.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	935 204.122970581055 616905.6875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	936
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	937 RECORD_TITLE: MZ:204.1213 \| RT:56.8 \| grpid:152 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	938 MS$FOCUSED_ION: PRECURSOR_M/Z 204.121345376641
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	939 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	940 XCMS groupid (grpid): 152
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	941 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	942 PK$NUM_PEAK: 8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	943 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	944 103.039379119873 13124.6179199219 2.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	945 117.074264526367 58102.080078125 9.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	946 126.055145263672 55148.140625 8.94
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	947 138.054885864258 67726.322265625 10.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	948 144.065483093262 24073.7080078125 3.9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	949 144.101837158203 81904.890625 13.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	950 145.049514770508 242301.34375 39.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	951 204.122970581055 616905.6875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	952
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	953 RECORD_TITLE: MZ:207.016 \| RT:41.8 \| grpid:158 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	954 MS$FOCUSED_ION: PRECURSOR_M/Z 207.015970241864
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	955 AC$CHROMATOGRAPHY: RETENTION_TIME 41.826645
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	956 XCMS groupid (grpid): 158
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	957 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	958 PK$NUM_PEAK: 19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	959 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	960 102.055213928223 14664.9248046875 10.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	961 104.992233276367 2625.12451171875 1.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	962 120.00316619873 3167.53002929688 2.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	963 120.065727233887 39810.953125 28.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	964 125.714157104492 2278.95581054688 1.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	965 125.770439147949 2413.32568359375 1.76
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	974 207.014282226562 137352.125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	975 207.034118652344 5699.5263671875 4.15
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	978 207.174377441406 3961.92211914062 2.88
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	980 RECORD_TITLE: MZ:207.016 \| RT:41.8 \| grpid:158 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	981 MS$FOCUSED_ION: PRECURSOR_M/Z 207.015970241864
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	982 AC$CHROMATOGRAPHY: RETENTION_TIME 41.826645
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	983 XCMS groupid (grpid): 158
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	984 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	985 PK$NUM_PEAK: 19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	986 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	987 102.055213928223 14664.9248046875 10.68
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1006
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1007 RECORD_TITLE: MZ:214.0624 \| RT:55.4 \| grpid:172 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1008 MS$FOCUSED_ION: PRECURSOR_M/Z 214.06240374159
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1009 AC$CHROMATOGRAPHY: RETENTION_TIME 55.4140188
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1010 XCMS groupid (grpid): 172
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1011 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1014 100.022003173828 18210.814453125 0.48
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1017 127.032608032227 3771385.25 100
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1021 141.000549316406 32761.166015625 0.87
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1022 141.048263549805 10484.16796875 0.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1023 158.02702331543 16497.7265625 0.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1024 170.074661254883 55442.0390625 1.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1025 197.064270019531 5371.8564453125 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1026 197.093124389648 3679.029296875 0.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1027 214.064468383789 307880.84375 8.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1028
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1029 RECORD_TITLE: MZ:214.0624 \| RT:55.4 \| grpid:172 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1030 MS$FOCUSED_ION: PRECURSOR_M/Z 214.06240374159
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1031 AC$CHROMATOGRAPHY: RETENTION_TIME 55.4140188
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1032 XCMS groupid (grpid): 172
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1033 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1034 PK$NUM_PEAK: 14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1035 PK$PEAK: m/z int. rel.int.
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1051 RECORD_TITLE: MZ:218.1384 \| RT:89.6 \| grpid:180 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1052 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138404003909
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1053 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1054 XCMS groupid (grpid): 180
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1055 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1056 PK$NUM_PEAK: 1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1057 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1058 218.138656616211 253796.811523438 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1059
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1060 RECORD_TITLE: MZ:218.1384 \| RT:89.6 \| grpid:180 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1061 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138404003909
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1062 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1063 XCMS groupid (grpid): 180
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1064 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1065 PK$NUM_PEAK: 1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1066 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1067 218.138656616211 253796.811523438 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1068
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1069 RECORD_TITLE: MZ:219.1345 \| RT:84.2 \| grpid:182 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1070 MS$FOCUSED_ION: PRECURSOR_M/Z 219.134537648256
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1071 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1072 XCMS groupid (grpid): 182
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1073 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1074 PK$NUM_PEAK: 23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1075 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1076 105.063270568848 4203.001953125 0.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1077 110.096893310547 4522.54443359375 0.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1078 112.11270904541 5338.60205078125 0.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1079 116.986259460449 5649.759765625 0.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1080 117.065921783447 4423.58276367188 0.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1081 119.085418701172 4587.7412109375 0.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1082 121.101333618164 5698.80517578125 0.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1083 126.091411590576 18157.0063476562 0.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1084 128.10718536377 111406.86328125 5.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1085 132.101951599121 2189822.5 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1086 133.101219177246 5414.54345703125 0.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1087 155.117767333984 24587.1943359375 1.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1088 161.132385253906 6279.27978515625 0.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1089 172.096343994141 31113.580078125 1.42
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1095 203.142929077148 100537.1796875 4.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1096 219.133995056152 205882.671875 9.4
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1098 222.249847412109 3721.74389648438 0.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1099
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1100 RECORD_TITLE: MZ:219.1345 \| RT:84.2 \| grpid:182 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1101 MS$FOCUSED_ION: PRECURSOR_M/Z 219.134537648256
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1102 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1103 XCMS groupid (grpid): 182
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1104 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1105 PK$NUM_PEAK: 23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1106 PK$PEAK: m/z int. rel.int.
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1109 112.11270904541 5338.60205078125 0.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1110 116.986259460449 5649.759765625 0.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1111 117.065921783447 4423.58276367188 0.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1112 119.085418701172 4587.7412109375 0.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1113 121.101333618164 5698.80517578125 0.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1114 126.091411590576 18157.0063476562 0.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1115 128.10718536377 111406.86328125 5.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1116 132.101951599121 2189822.5 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1117 133.101219177246 5414.54345703125 0.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1118 155.117767333984 24587.1943359375 1.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1119 161.132385253906 6279.27978515625 0.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1120 172.096343994141 31113.580078125 1.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1121 172.097229003906 28655.04296875 1.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1122 173.12841796875 984785.375 44.97
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1123 180.904510498047 3674.49365234375 0.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1124 201.123176574707 136627.3984375 6.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1125 202.754135131836 3789.76586914062 0.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1126 203.142929077148 100537.1796875 4.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1127 219.133995056152 205882.671875 9.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1128 219.17414855957 312209.53125 14.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1129 222.249847412109 3721.74389648438 0.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1130
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1131 RECORD_TITLE: MZ:227.1131 \| RT:46.9 \| grpid:199 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1132 MS$FOCUSED_ION: PRECURSOR_M/Z 227.11306151597
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1133 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1134 XCMS groupid (grpid): 199
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1135 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1136 PK$NUM_PEAK: 26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1137 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1138 109.063594818115 4099.17810058594 0.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1139 110.071586608887 4586480.375 100
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1141 112.08727645874 31349.716796875 0.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1142 116.070880889893 101813.242431641 2.22
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1151 156.076751708984 1840110.9375 40.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1152 164.081802368164 586130.234375 12.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1153 166.09748840332 7788.17895507812 0.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1154 180.076683044434 166536.2109375 3.63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1155 181.1083984375 398499.609375 8.69
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1156 185.092224121094 28311.791015625 0.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1157 192.076904296875 107753.48046875 2.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1158 198.087097167969 63362.185546875 1.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1159 209.103118896484 71219.1015625 1.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1160 209.104988098145 47095.048828125 1.03
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1161 210.087188720703 797584.71875 17.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1162 227.113609313965 227937.2578125 4.97
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1163 227.117202758789 127066.21484375 2.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1164
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1165 RECORD_TITLE: MZ:227.1131 \| RT:46.9 \| grpid:199 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1166 MS$FOCUSED_ION: PRECURSOR_M/Z 227.11306151597
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1167 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1168 XCMS groupid (grpid): 199
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1169 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1170 PK$NUM_PEAK: 26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1171 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1172 109.063594818115 4099.17810058594 0.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1173 110.071586608887 4586480.375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1174 111.055381774902 18864.41796875 0.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1175 112.08727645874 31349.716796875 0.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1176 116.070880889893 101813.242431641 2.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1177 122.071449279785 664034.8125 14.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1178 124.086784362793 4749.31494140625 0.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1179 128.031921386719 62183.078125 1.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1180 136.086959838867 35043.9541015625 0.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1181 138.06615447998 42256.64453125 0.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1182 146.071044921875 82355.41015625 1.8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1183 148.086982727051 6629.76416015625 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1184 152.08179473877 235479.046875 5.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1185 156.076751708984 1840110.9375 40.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1186 164.081802368164 586130.234375 12.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1187 166.09748840332 7788.17895507812 0.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1188 180.076683044434 166536.2109375 3.63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1189 181.1083984375 398499.609375 8.69
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1190 185.092224121094 28311.791015625 0.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1191 192.076904296875 107753.48046875 2.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1192 198.087097167969 63362.185546875 1.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1193 209.103118896484 71219.1015625 1.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1194 209.104988098145 47095.048828125 1.03
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1195 210.087188720703 797584.71875 17.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1196 227.113609313965 227937.2578125 4.97
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1197 227.117202758789 127066.21484375 2.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1198
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1199 RECORD_TITLE: MZ:229.1544 \| RT:110.4 \| grpid:205 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1200 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154447166191
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1201 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1202 XCMS groupid (grpid): 205
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1203 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1204 PK$NUM_PEAK: 11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1205 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1206 114.055229187012 60647.390625 5.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1207 114.09167098999 29566.265625 2.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1208 116.070781707764 20710.4228515625 1.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1209 118.086490631104 98936.8671875 8.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1210 124.075782775879 78477.671875 7.03
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1211 126.091487884521 17345.4731445312 1.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1212 138.091117858887 16997.80859375 1.52
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1213 142.086242675781 627497.8125 56.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1214 170.081008911133 41052.947265625 3.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1215 183.11270904541 120098.7890625 10.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1216 229.154571533203 1116581.9453125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1217
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1218 RECORD_TITLE: MZ:229.1544 \| RT:110.4 \| grpid:205 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1219 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154447166191
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1220 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1221 XCMS groupid (grpid): 205
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1222 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1223 PK$NUM_PEAK: 11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1224 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1225 114.055229187012 60647.390625 5.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1226 114.09167098999 29566.265625 2.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1227 116.070781707764 20710.4228515625 1.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1228 118.086490631104 98936.8671875 8.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1229 124.075782775879 78477.671875 7.03
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1230 126.091487884521 17345.4731445312 1.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1231 138.091117858887 16997.80859375 1.52
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1232 142.086242675781 627497.8125 56.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1233 170.081008911133 41052.947265625 3.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1234 183.11270904541 120098.7890625 10.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1235 229.154571533203 1116581.9453125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1236
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1237 RECORD_TITLE: MZ:230.1402 \| RT:116.8 \| grpid:206 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1238 MS$FOCUSED_ION: PRECURSOR_M/Z 230.140207062093
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1239 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1240 XCMS groupid (grpid): 206
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1241 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1242 PK$NUM_PEAK: 4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1243 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1244 144.102348327637 9560.11743164062 14.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1245 166.047752380371 12590.408203125 19.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1246 171.065002441406 47139.09375 72.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1247 230.138198852539 64708.8984375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1248
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1249 RECORD_TITLE: MZ:230.1402 \| RT:116.8 \| grpid:206 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1250 MS$FOCUSED_ION: PRECURSOR_M/Z 230.140207062093
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1251 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1252 XCMS groupid (grpid): 206
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1253 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1254 PK$NUM_PEAK: 4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1255 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1256 144.102348327637 9560.11743164062 14.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1257 166.047752380371 12590.408203125 19.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1258 171.065002441406 47139.09375 72.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1259 230.138198852539 64708.8984375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1260
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1261 RECORD_TITLE: MZ:231.1694 \| RT:130.8 \| grpid:209 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1262 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169440223829
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1263 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1264 XCMS groupid (grpid): 209
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1265 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1266 PK$NUM_PEAK: 10
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1267 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1268 111.466903686523 3197.19702148438 12.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1269 116.07112121582 3271.9736328125 12.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1270 116.427024841309 2544.30590820312 9.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1271 118.086345672607 25840.970703125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1272 132.357925415039 2541.77392578125 9.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1273 134.190277099609 2779.22607421875 10.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1274 179.655456542969 2593.84716796875 10.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1275 185.16487121582 8175.68310546875 31.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1276 231.170913696289 13019.9536132812 50.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1277 242.216293334961 3109.39599609375 12.03
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1278
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1279 RECORD_TITLE: MZ:231.1694 \| RT:130.8 \| grpid:209 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1280 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169440223829
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1281 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1282 XCMS groupid (grpid): 209
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1283 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1284 PK$NUM_PEAK: 10
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1285 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1286 111.466903686523 3197.19702148438 12.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1287 116.07112121582 3271.9736328125 12.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1288 116.427024841309 2544.30590820312 9.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1289 118.086345672607 25840.970703125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1290 132.357925415039 2541.77392578125 9.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1291 134.190277099609 2779.22607421875 10.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1292 179.655456542969 2593.84716796875 10.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1293 185.16487121582 8175.68310546875 31.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1294 231.170913696289 13019.9536132812 50.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1295 242.216293334961 3109.39599609375 12.03
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1296
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1297 RECORD_TITLE: MZ:233.1492 \| RT:66.7 \| grpid:214 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1298 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149205713464
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1299 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1300 XCMS groupid (grpid): 214
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1301 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1302 PK$NUM_PEAK: 8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1303 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1304 102.055374145508 51696.87890625 22.8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1305 120.065715789795 226702.9609375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1306 130.049911499023 45556.30859375 20.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1307 132.101989746094 29734.6357421875 13.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1308 142.122772216797 8058.5205078125 3.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1309 187.143997192383 16553.251953125 7.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1310 215.139053344727 44730.51171875 19.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1311 233.149711608887 37191.212890625 16.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1312
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1313 RECORD_TITLE: MZ:233.1492 \| RT:66.7 \| grpid:214 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1314 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149205713464
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1315 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1316 XCMS groupid (grpid): 214
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1317 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1318 PK$NUM_PEAK: 8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1319 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1320 102.055374145508 51696.87890625 22.8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1321 120.065715789795 226702.9609375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1322 130.049911499023 45556.30859375 20.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1323 132.101989746094 29734.6357421875 13.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1324 142.122772216797 8058.5205078125 3.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1325 187.143997192383 16553.251953125 7.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1326 215.139053344727 44730.51171875 19.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1327 233.149711608887 37191.212890625 16.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1328
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1329 RECORD_TITLE: MZ:244.9534 \| RT:41 \| grpid:234 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1330 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953385254716
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1331 AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1332 XCMS groupid (grpid): 234
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1333 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1334 PK$NUM_PEAK: 13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1335 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1336 104.992706298828 378396.8125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1337 104.999923706055 7185.41552734375 1.9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1338 134.019111633301 14298.7292480469 3.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1339 146.019165039062 4753.09130859375 1.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1340 162.950744628906 3319.13793945312 0.88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1341 164.879348754883 2862.37036132812 0.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1342 171.35090637207 2969.00439453125 0.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1343 183.394256591797 2706.86157226562 0.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1344 186.895538330078 3287.81958007812 0.87
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1345 186.912002563477 72985.9140625 19.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1346 186.995803833008 4622.62060546875 1.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1347 204.922698974609 55473.91796875 14.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1348 216.667694091797 2451.92456054688 0.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1349
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1350 RECORD_TITLE: MZ:244.9534 \| RT:41 \| grpid:234 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1351 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953385254716
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1352 AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1353 XCMS groupid (grpid): 234
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1354 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1355 PK$NUM_PEAK: 13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1356 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1357 104.992706298828 378396.8125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1358 104.999923706055 7185.41552734375 1.9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1359 134.019111633301 14298.7292480469 3.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1360 146.019165039062 4753.09130859375 1.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1361 162.950744628906 3319.13793945312 0.88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1362 164.879348754883 2862.37036132812 0.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1363 171.35090637207 2969.00439453125 0.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1364 183.394256591797 2706.86157226562 0.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1365 186.895538330078 3287.81958007812 0.87
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1366 186.912002563477 72985.9140625 19.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1367 186.995803833008 4622.62060546875 1.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1368 204.922698974609 55473.91796875 14.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1369 216.667694091797 2451.92456054688 0.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1370
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1371 RECORD_TITLE: MZ:245.0766 \| RT:83.4 \| grpid:235 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1372 MS$FOCUSED_ION: PRECURSOR_M/Z 245.07657810262
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1373 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1374 XCMS groupid (grpid): 235
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1375 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1376 PK$NUM_PEAK: 12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1377 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1378 102.847290039062 7233.47998046875 0.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1379 103.039363861084 10410.1005859375 0.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1380 113.034893035889 2059466.625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1381 115.039226531982 50216.791015625 2.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1382 127.821929931641 6439.4697265625 0.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1383 133.049758911133 65999.25390625 3.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1384 137.333404541016 5343.7626953125 0.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1385 149.172576904297 5415.865234375 0.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1386 158.082015991211 5685.69775390625 0.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1387 183.691345214844 6732.88623046875 0.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1388 245.16056060791 18422.296875 0.89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1389 269.657653808594 5373.13623046875 0.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1390
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1391 RECORD_TITLE: MZ:245.0766 \| RT:83.4 \| grpid:235 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1392 MS$FOCUSED_ION: PRECURSOR_M/Z 245.07657810262
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1393 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1394 XCMS groupid (grpid): 235
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1395 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1396 PK$NUM_PEAK: 12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1397 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1398 102.847290039062 7233.47998046875 0.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1399 103.039363861084 10410.1005859375 0.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1400 113.034893035889 2059466.625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1401 115.039226531982 50216.791015625 2.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1402 127.821929931641 6439.4697265625 0.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1403 133.049758911133 65999.25390625 3.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1404 137.333404541016 5343.7626953125 0.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1405 149.172576904297 5415.865234375 0.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1406 158.082015991211 5685.69775390625 0.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1407 183.691345214844 6732.88623046875 0.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1408 245.16056060791 18422.296875 0.89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1409 269.657653808594 5373.13623046875 0.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1410
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1411 RECORD_TITLE: MZ:246.1449 \| RT:56 \| grpid:238 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1412 MS$FOCUSED_ION: PRECURSOR_M/Z 246.144917517526
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1413 AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1414 XCMS groupid (grpid): 238
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1415 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1416 PK$NUM_PEAK: 53
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1417 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1418 100.075996398926 13907.2685546875 1.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1419 101.071376800537 78530.54296875 7.97
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1420 101.107837677002 13021.5205078125 1.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1421 102.055397033691 10497.6481933594 1.06
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1422 105.111312866211 3550.4013671875 0.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1423 111.054954528809 3121.79370117188 0.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1424 111.055686950684 4715.681640625 0.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1425 112.087310791016 33766.8388671875 3.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1426 116.070816040039 5874.92333984375 0.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1427 117.074378967285 4742.4384765625 0.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1428 117.102447509766 34718.7734375 3.52
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1429 118.086410522461 60193.091796875 6.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1430 127.533218383789 3126.70092773438 0.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1431 129.102493286133 114568.01953125 11.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1432 129.113304138184 16345.7446289062 1.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1433 130.049964904785 912668.53125 92.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1434 130.08634185791 160788.3125 16.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1435 130.096298217773 5541.70068359375 0.56
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1436 137.720031738281 2940.19921875 0.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1437 138.091659545898 3917.65002441406 0.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1438 138.102615356445 11640.97265625 1.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1439 144.558670043945 3019.34936523438 0.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1440 147.076385498047 985817.1875 100
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1442 156.300552368164 3563.12890625 0.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1443 158.09228515625 3452.87084960938 0.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1444 162.474563598633 2948.10424804688 0.3
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1447 173.957077026367 3202.59350585938 0.32
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1453 184.344192504883 2776.12524414062 0.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1454 190.794464111328 3111.716796875 0.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1455 194.080947875977 3669.88256835938 0.37
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1462 228.13404083252 31948.7939453125 3.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1463 228.170013427734 5492.08544921875 0.56
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1470 262.875 3137.12841796875 0.32
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1472 RECORD_TITLE: MZ:246.1449 \| RT:56 \| grpid:238 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1473 MS$FOCUSED_ION: PRECURSOR_M/Z 246.144917517526
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1475 XCMS groupid (grpid): 238
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1476 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1477 PK$NUM_PEAK: 53
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1478 PK$PEAK: m/z int. rel.int.
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1492 129.102493286133 114568.01953125 11.62
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1533 RECORD_TITLE: MZ:247.1285 \| RT:62.9 \| grpid:241 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1534 MS$FOCUSED_ION: PRECURSOR_M/Z 247.12854349772
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1535 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1536 XCMS groupid (grpid): 241
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1537 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1538 PK$NUM_PEAK: 5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1539 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1540 138.091583251953 23510.8125 31.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1541 155.117828369141 18610.294921875 25.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1542 183.112762451172 74141.34765625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1543 229.118713378906 15723.8720703125 21.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1544 247.128883361816 18937.8193359375 25.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1545
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1546 RECORD_TITLE: MZ:247.1285 \| RT:62.9 \| grpid:241 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1547 MS$FOCUSED_ION: PRECURSOR_M/Z 247.12854349772
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1548 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1549 XCMS groupid (grpid): 241
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1550 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1551 PK$NUM_PEAK: 5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1552 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1553 138.091583251953 23510.8125 31.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1554 155.117828369141 18610.294921875 25.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1555 183.112762451172 74141.34765625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1556 229.118713378906 15723.8720703125 21.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1557 247.128883361816 18937.8193359375 25.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1558
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1559 RECORD_TITLE: MZ:249.0948 \| RT:43.9 \| grpid:246 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1560 MS$FOCUSED_ION: PRECURSOR_M/Z 249.094795122248
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1561 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1562 XCMS groupid (grpid): 246
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1563 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1564 PK$NUM_PEAK: 35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1565 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1566 100.417434692383 3012.53979492188 0.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1567 102.05534362793 5758.3828125 0.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1568 110.071601867676 46123.9765625 4.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1569 112.037220001221 1072468.03125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1570 112.310897827148 3575.49780273438 0.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1571 120.003299713135 5156.8876953125 0.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1572 120.065299987793 4691.2216796875 0.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1573 120.065902709961 10654.81640625 0.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1574 125.015129089355 3768.94604492188 0.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1575 130.047882080078 4939.74560546875 0.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1576 130.049179077148 4996.4912109375 0.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1577 132.053268432617 139582.8203125 13.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1578 133.037254333496 29048.3193359375 2.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1579 134.018768310547 11701.443359375 1.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1580 147.712509155273 3520.52807617188 0.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1581 153.063293457031 12238.2700195312 1.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1582 155.546905517578 4072.21923828125 0.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1583 157.506332397461 3476.060546875 0.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1584 160.048057556152 194049.171875 18.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1585 173.029731750488 18022.41015625 1.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1586 177.075286865234 3303.73095703125 0.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1587 178.058631896973 344922.0625 32.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1588 180.905288696289 3644.25463867188 0.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1589 187.095680236816 9869.19897460938 0.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1590 191.040191650391 216094.0078125 20.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1591 191.058059692383 6976.28173828125 0.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1592 191.076469421387 70589.7421875 6.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1593 193.122329711914 6411.677734375 0.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1594 196.547912597656 3137.29174804688 0.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1595 201.074180603027 7072.25317382812 0.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1596 203.089859008789 23535.162109375 2.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1597 203.09098815918 35861.9765625 3.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1598 232.069046020508 176954.0859375 16.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1599 249.095626831055 776862.5 72.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1600 256.981597900391 3960.87768554688 0.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1601
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1602 RECORD_TITLE: MZ:249.0948 \| RT:43.9 \| grpid:246 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1603 MS$FOCUSED_ION: PRECURSOR_M/Z 249.094795122248
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1604 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1605 XCMS groupid (grpid): 246
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1606 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1607 PK$NUM_PEAK: 35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1608 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1609 100.417434692383 3012.53979492188 0.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1610 102.05534362793 5758.3828125 0.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1611 110.071601867676 46123.9765625 4.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1612 112.037220001221 1072468.03125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1613 112.310897827148 3575.49780273438 0.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1614 120.003299713135 5156.8876953125 0.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1615 120.065299987793 4691.2216796875 0.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1616 120.065902709961 10654.81640625 0.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1617 125.015129089355 3768.94604492188 0.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1618 130.047882080078 4939.74560546875 0.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1619 130.049179077148 4996.4912109375 0.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1620 132.053268432617 139582.8203125 13.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1621 133.037254333496 29048.3193359375 2.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1622 134.018768310547 11701.443359375 1.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1623 147.712509155273 3520.52807617188 0.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1624 153.063293457031 12238.2700195312 1.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1625 155.546905517578 4072.21923828125 0.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1626 157.506332397461 3476.060546875 0.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1627 160.048057556152 194049.171875 18.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1628 173.029731750488 18022.41015625 1.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1629 177.075286865234 3303.73095703125 0.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1630 178.058631896973 344922.0625 32.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1631 180.905288696289 3644.25463867188 0.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1632 187.095680236816 9869.19897460938 0.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1633 191.040191650391 216094.0078125 20.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1634 191.058059692383 6976.28173828125 0.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1635 191.076469421387 70589.7421875 6.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1636 193.122329711914 6411.677734375 0.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1637 196.547912597656 3137.29174804688 0.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1638 201.074180603027 7072.25317382812 0.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1639 203.089859008789 23535.162109375 2.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1640 203.09098815918 35861.9765625 3.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1641 232.069046020508 176954.0859375 16.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1642 249.095626831055 776862.5 72.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1643 256.981597900391 3960.87768554688 0.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1644
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1645 RECORD_TITLE: MZ:253.152 \| RT:130.8 \| grpid:254 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1646 MS$FOCUSED_ION: PRECURSOR_M/Z 253.152010413701
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1647 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1648 XCMS groupid (grpid): 254
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1649 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1650 PK$NUM_PEAK: 18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1651 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1652 107.091743469238 2954.37670898438 3.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1653 107.339874267578 2320.88403320312 2.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1654 110.071685791016 35854.03515625 45.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1655 115.528038024902 2485.31811523438 3.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1656 120.081520080566 3132.15551757812 3.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1657 124.155448913574 2436.33129882812 3.07
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1658 140.068023681641 35309.353515625 44.49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1659 141.054458618164 2880.50244140625 3.63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1660 153.270446777344 2888.85546875 3.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1661 154.083778381348 21452.6298828125 27.03
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1662 156.076873779297 3850.58935546875 4.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1663 157.152938842773 2905.64404296875 3.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1664 169.125030517578 2750.21606445312 3.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1665 193.291427612305 2772.30908203125 3.49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1666 200.121810913086 2855.59790039062 3.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1667 212.793746948242 3007.59448242188 3.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1668 235.118865966797 4881.416015625 6.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1669 253.152229309082 79373.50390625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1670
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1671 RECORD_TITLE: MZ:253.152 \| RT:130.8 \| grpid:254 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1672 MS$FOCUSED_ION: PRECURSOR_M/Z 253.152010413701
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1673 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1674 XCMS groupid (grpid): 254
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1675 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1676 PK$NUM_PEAK: 18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1677 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1678 107.091743469238 2954.37670898438 3.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1679 107.339874267578 2320.88403320312 2.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1680 110.071685791016 35854.03515625 45.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1681 115.528038024902 2485.31811523438 3.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1682 120.081520080566 3132.15551757812 3.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1683 124.155448913574 2436.33129882812 3.07
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1684 140.068023681641 35309.353515625 44.49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1685 141.054458618164 2880.50244140625 3.63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1686 153.270446777344 2888.85546875 3.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1687 154.083778381348 21452.6298828125 27.03
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1688 156.076873779297 3850.58935546875 4.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1689 157.152938842773 2905.64404296875 3.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1690 169.125030517578 2750.21606445312 3.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1691 193.291427612305 2772.30908203125 3.49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1692 200.121810913086 2855.59790039062 3.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1693 212.793746948242 3007.59448242188 3.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1694 235.118865966797 4881.416015625 6.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1695 253.152229309082 79373.50390625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1696
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1697 RECORD_TITLE: MZ:260.16 \| RT:64.4 \| grpid:268 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1698 MS$FOCUSED_ION: PRECURSOR_M/Z 260.159953818855
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1699 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1700 XCMS groupid (grpid): 268
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1701 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1702 PK$NUM_PEAK: 18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1703 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1704 101.07137298584 88945.23046875 22.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1705 101.107887268066 11458.4409179688 2.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1706 102.055484771729 26084.1904296875 6.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1707 129.065994262695 76806.580078125 19.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1708 129.102340698242 47012.296875 11.69
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1709 130.049964904785 364302.375 90.57
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1710 130.086372375488 29637.9765625 7.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1711 131.118072509766 74113.953125 18.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1712 132.101959228516 53785.2109375 13.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1713 143.117904663086 102293.5859375 25.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1714 147.076377868652 402224.125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1715 147.112670898438 37525.787109375 9.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1716 157.13346862793 55436.7109375 13.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1717 171.112663269043 16159.1127929688 4.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1718 197.128387451172 91723.1875 22.8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1719 243.133743286133 61300.603515625 15.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1720 260.160217285156 64525.95703125 16.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1721 260.196746826172 15505.5068359375 3.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1722
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1723 RECORD_TITLE: MZ:260.16 \| RT:64.4 \| grpid:268 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1724 MS$FOCUSED_ION: PRECURSOR_M/Z 260.159953818855
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1725 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1726 XCMS groupid (grpid): 268
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1727 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1728 PK$NUM_PEAK: 18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1729 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1730 101.07137298584 88945.23046875 22.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1731 101.107887268066 11458.4409179688 2.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1732 102.055484771729 26084.1904296875 6.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1733 129.065994262695 76806.580078125 19.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1734 129.102340698242 47012.296875 11.69
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1735 130.049964904785 364302.375 90.57
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1736 130.086372375488 29637.9765625 7.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1737 131.118072509766 74113.953125 18.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1738 132.101959228516 53785.2109375 13.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1739 143.117904663086 102293.5859375 25.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1740 147.076377868652 402224.125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1741 147.112670898438 37525.787109375 9.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1742 157.13346862793 55436.7109375 13.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1743 171.112663269043 16159.1127929688 4.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1744 197.128387451172 91723.1875 22.8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1745 243.133743286133 61300.603515625 15.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1746 260.160217285156 64525.95703125 16.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1747 260.196746826172 15505.5068359375 3.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1748
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1749 RECORD_TITLE: MZ:263.1945 \| RT:74.3 \| grpid:278 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1750 MS$FOCUSED_ION: PRECURSOR_M/Z 263.194464580713
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1751 AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1752 XCMS groupid (grpid): 278
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1753 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1754 PK$NUM_PEAK: 20
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1755 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1756 102.054862976074 2515.89672851562 17.27
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1757 104.229377746582 2670.97973632812 18.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1758 107.425888061523 3018.11962890625 20.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1759 115.45637512207 3103.68212890625 21.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1760 125.070919036865 7439.07629394531 51.06
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1761 126.956985473633 2508.49682617188 17.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1762 132.102081298828 8144.29418945312 55.9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1763 142.271881103516 2367.89501953125 16.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1764 143.180847167969 2537.232421875 17.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1765 143.889801025391 2502.43676757812 17.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1766 144.065383911133 4202.63720703125 28.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1767 147.819519042969 3093.35034179688 21.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1768 153.460296630859 2812.95043945312 19.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1769 157.270568847656 2616.5419921875 17.96
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1770 162.07625579834 5481.19189453125 37.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1771 171.07600402832 5756.02001953125 39.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1772 181.097015380859 4316.86547851562 29.63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1773 199.107887268066 14568.2543945312 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1774 215.066757202148 2878.05126953125 19.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1775 263.089477539062 2743.9130859375 18.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1776
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1777 RECORD_TITLE: MZ:263.1945 \| RT:74.3 \| grpid:278 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1778 MS$FOCUSED_ION: PRECURSOR_M/Z 263.194464580713
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1779 AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1780 XCMS groupid (grpid): 278
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1781 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1782 PK$NUM_PEAK: 20
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1783 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1784 102.054862976074 2515.89672851562 17.27
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1785 104.229377746582 2670.97973632812 18.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1786 107.425888061523 3018.11962890625 20.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1787 115.45637512207 3103.68212890625 21.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1788 125.070919036865 7439.07629394531 51.06
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1789 126.956985473633 2508.49682617188 17.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1790 132.102081298828 8144.29418945312 55.9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1791 142.271881103516 2367.89501953125 16.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1792 143.180847167969 2537.232421875 17.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1793 143.889801025391 2502.43676757812 17.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1794 144.065383911133 4202.63720703125 28.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1795 147.819519042969 3093.35034179688 21.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1796 153.460296630859 2812.95043945312 19.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1797 157.270568847656 2616.5419921875 17.96
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1798 162.07625579834 5481.19189453125 37.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1799 171.07600402832 5756.02001953125 39.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1800 181.097015380859 4316.86547851562 29.63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1801 199.107887268066 14568.2543945312 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1802 215.066757202148 2878.05126953125 19.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1803 263.089477539062 2743.9130859375 18.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1804
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1805 RECORD_TITLE: MZ:265.0719 \| RT:46.2 \| grpid:282 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1806 MS$FOCUSED_ION: PRECURSOR_M/Z 265.07194783613
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1807 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1808 XCMS groupid (grpid): 282
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1809 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1810 PK$NUM_PEAK: 26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1811 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1812 100.917579650879 5901.88012695312 8.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1813 114.893154144287 26118.32421875 35.8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1814 116.069046020508 2184.07983398438 2.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1815 120.003452301025 51449.279296875 70.52
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1816 120.011451721191 4107.23486328125 5.63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1817 120.842704772949 2651.08349609375 3.63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1818 128.03197479248 6840.337890625 9.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1819 132.053787231445 2915.28295898438 4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1820 132.306900024414 2790.7412109375 3.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1821 143.819931030273 2752.82299804688 3.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1822 150.013809204102 3940.181640625 5.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1823 159.014289855957 11402.33984375 15.63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1824 164.029335021973 14976.8408203125 20.53
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1825 168.126541137695 2528.20141601562 3.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1826 177.02466583252 51129.326171875 70.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1827 178.974731445312 4436.08532714844 6.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1828 191.040214538574 42986.630859375 58.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1829 191.076782226562 12744.0219726562 17.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1830 203.040618896484 12391.6337890625 16.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1831 205.05598449707 3205.2880859375 4.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1832 207.014587402344 72961.2890625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1833 207.033981323242 5734.98291015625 7.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1834 207.05184173584 14531.7172851562 19.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1835 218.967933654785 9198.8681640625 12.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1836 221.051002502441 15606.8374023438 21.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1837 265.072769165039 5121.220703125 7.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1838
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1839 RECORD_TITLE: MZ:265.0719 \| RT:46.2 \| grpid:282 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1840 MS$FOCUSED_ION: PRECURSOR_M/Z 265.07194783613
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1841 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1842 XCMS groupid (grpid): 282
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1843 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1844 PK$NUM_PEAK: 26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1845 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1846 100.917579650879 5901.88012695312 8.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1847 114.893154144287 26118.32421875 35.8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1848 116.069046020508 2184.07983398438 2.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1849 120.003452301025 51449.279296875 70.52
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1850 120.011451721191 4107.23486328125 5.63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1851 120.842704772949 2651.08349609375 3.63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1852 128.03197479248 6840.337890625 9.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1853 132.053787231445 2915.28295898438 4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1854 132.306900024414 2790.7412109375 3.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1855 143.819931030273 2752.82299804688 3.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1856 150.013809204102 3940.181640625 5.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1857 159.014289855957 11402.33984375 15.63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1858 164.029335021973 14976.8408203125 20.53
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1859 168.126541137695 2528.20141601562 3.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1860 177.02466583252 51129.326171875 70.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1861 178.974731445312 4436.08532714844 6.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1862 191.040214538574 42986.630859375 58.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1863 191.076782226562 12744.0219726562 17.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1864 203.040618896484 12391.6337890625 16.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1865 205.05598449707 3205.2880859375 4.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1866 207.014587402344 72961.2890625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1867 207.033981323242 5734.98291015625 7.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1868 207.05184173584 14531.7172851562 19.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1869 218.967933654785 9198.8681640625 12.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1870 221.051002502441 15606.8374023438 21.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1871 265.072769165039 5121.220703125 7.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1872
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1873 RECORD_TITLE: MZ:268.9977 \| RT:42.4 \| grpid:298 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1874 MS$FOCUSED_ION: PRECURSOR_M/Z 268.997725920593
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1875 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1876 XCMS groupid (grpid): 298
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1877 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1878 PK$NUM_PEAK: 24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1879 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1880 104.992702484131 2385384.125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1881 112.895988464355 53725.052734375 2.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1882 113.738670349121 3244.43115234375 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1883 115.773323059082 2838.77758789062 0.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1884 123.003398895264 4121.5126953125 0.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1885 130.049285888672 3339.44555664062 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1886 135.772277832031 3055.81420898438 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1887 146.019088745117 20828.4692382812 0.87
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1888 148.2451171875 3183.01879882812 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1889 154.949859619141 3207.18774414062 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1890 170.042404174805 13054.3935546875 0.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1891 176.162475585938 3204.0498046875 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1892 176.406677246094 3311.90942382812 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1893 176.992706298828 5391.88793945312 0.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1894 186.912040710449 34291.3681640625 1.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1895 186.995277404785 71035.099609375 2.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1896 192.990707397461 8688.34057617188 0.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1897 204.922706604004 23608.8330078125 0.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1898 252.058502197266 5009.93701171875 0.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1899 269.039306640625 5043.013671875 0.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1900 269.085510253906 8565.349609375 0.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1901 269.111618041992 15797.35546875 0.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1902 273.454193115234 2715.39135742188 0.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1903 276.519256591797 3091.81103515625 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1904
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1905 RECORD_TITLE: MZ:268.9977 \| RT:42.4 \| grpid:298 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1906 MS$FOCUSED_ION: PRECURSOR_M/Z 268.997725920593
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1907 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1908 XCMS groupid (grpid): 298
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1909 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1910 PK$NUM_PEAK: 24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1911 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1912 104.992702484131 2385384.125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1913 112.895988464355 53725.052734375 2.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1914 113.738670349121 3244.43115234375 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1915 115.773323059082 2838.77758789062 0.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1916 123.003398895264 4121.5126953125 0.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1917 130.049285888672 3339.44555664062 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1918 135.772277832031 3055.81420898438 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1919 146.019088745117 20828.4692382812 0.87
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1920 148.2451171875 3183.01879882812 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1921 154.949859619141 3207.18774414062 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1922 170.042404174805 13054.3935546875 0.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1923 176.162475585938 3204.0498046875 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1924 176.406677246094 3311.90942382812 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1925 176.992706298828 5391.88793945312 0.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1926 186.912040710449 34291.3681640625 1.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1927 186.995277404785 71035.099609375 2.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1928 192.990707397461 8688.34057617188 0.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1929 204.922706604004 23608.8330078125 0.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1930 252.058502197266 5009.93701171875 0.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1931 269.039306640625 5043.013671875 0.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1932 269.085510253906 8565.349609375 0.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1933 269.111618041992 15797.35546875 0.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1934 273.454193115234 2715.39135742188 0.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1935 276.519256591797 3091.81103515625 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1936
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1937 RECORD_TITLE: MZ:272.1708 \| RT:59.1 \| grpid:303 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1938 MS$FOCUSED_ION: PRECURSOR_M/Z 272.170776556479
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1939 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1940 XCMS groupid (grpid): 303
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1941 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1942 PK$NUM_PEAK: 34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1943 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1944 100.076290130615 15373.1440429688 2.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1945 110.07160949707 5794.01782226562 0.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1946 112.087249755859 249888.84375 34.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1947 115.086818695068 27925.59375 3.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1948 116.070880889893 383195.171875 52.45
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1949 125.071502685547 6160.11779785156 0.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1950 127.050369262695 6405.94409179688 0.88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1951 128.070724487305 5714.35791015625 0.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1952 130.097694396973 15292.7739257812 2.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1953 138.055046081543 6695.54516601562 0.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1954 140.081733703613 37654.05078125 5.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1955 151.12313079834 15857.6005859375 2.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1956 157.108329772949 91780.6484375 12.56
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1957 158.092407226562 96465.91796875 13.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1958 167.11833190918 5960.1396484375 0.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1959 168.990600585938 9701.21533203125 1.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1960 172.985542297363 6796.45141601562 0.93
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1961 175.118927001953 405866.296875 55.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1962 181.986015319824 16487.8764648438 2.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1963 192.11311340332 10794.48046875 1.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1964 194.129043579102 12971.6772460938 1.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1965 195.112998962402 81582.58203125 11.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1966 196.09642791748 30589.373046875 4.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1967 199.996185302734 3998.71301269531 0.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1968 209.139106750488 5358.55688476562 0.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1969 212.139236450195 4401.76123046875 0.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1970 213.123260498047 226357.9765625 30.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1971 213.143684387207 5190.94213867188 0.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1972 226.118835449219 8838.80078125 1.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1973 237.134162902832 4934.0205078125 0.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1974 238.117828369141 50502.14453125 6.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1975 254.160888671875 76172.712890625 10.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1976 255.14493560791 201649.6171875 27.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1977 272.171432495117 730590.25 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1978
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1979 RECORD_TITLE: MZ:272.1708 \| RT:59.1 \| grpid:303 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1980 MS$FOCUSED_ION: PRECURSOR_M/Z 272.170776556479
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1981 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1982 XCMS groupid (grpid): 303
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1983 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1984 PK$NUM_PEAK: 34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1985 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1986 100.076290130615 15373.1440429688 2.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1987 110.07160949707 5794.01782226562 0.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1988 112.087249755859 249888.84375 34.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1989 115.086818695068 27925.59375 3.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1990 116.070880889893 383195.171875 52.45
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1991 125.071502685547 6160.11779785156 0.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1992 127.050369262695 6405.94409179688 0.88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1993 128.070724487305 5714.35791015625 0.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1994 130.097694396973 15292.7739257812 2.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1995 138.055046081543 6695.54516601562 0.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1996 140.081733703613 37654.05078125 5.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1997 151.12313079834 15857.6005859375 2.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1998 157.108329772949 91780.6484375 12.56
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	1999 158.092407226562 96465.91796875 13.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2000 167.11833190918 5960.1396484375 0.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2001 168.990600585938 9701.21533203125 1.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2002 172.985542297363 6796.45141601562 0.93
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2003 175.118927001953 405866.296875 55.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2004 181.986015319824 16487.8764648438 2.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2005 192.11311340332 10794.48046875 1.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2006 194.129043579102 12971.6772460938 1.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2007 195.112998962402 81582.58203125 11.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2008 196.09642791748 30589.373046875 4.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2009 199.996185302734 3998.71301269531 0.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2010 209.139106750488 5358.55688476562 0.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2011 212.139236450195 4401.76123046875 0.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2012 213.123260498047 226357.9765625 30.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2013 213.143684387207 5190.94213867188 0.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2014 226.118835449219 8838.80078125 1.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2015 237.134162902832 4934.0205078125 0.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2016 238.117828369141 50502.14453125 6.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2017 254.160888671875 76172.712890625 10.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2018 255.14493560791 201649.6171875 27.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2019 272.171432495117 730590.25 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2020
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2021 RECORD_TITLE: MZ:274.1757 \| RT:93.5 \| grpid:306 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2022 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175657429697
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2023 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2024 XCMS groupid (grpid): 306
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2025 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2026 PK$NUM_PEAK: 7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2027 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2028 115.086799621582 4384.91125488281 3.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2029 157.133560180664 144051.40234375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2030 161.092239379883 101951.368164062 70.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2031 171.149185180664 83047.671875 57.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2032 175.107788085938 28340.4921875 19.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2033 185.128562927246 53323.5327148438 37.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2034 199.144134521484 8823.5625 6.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2035
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2036 RECORD_TITLE: MZ:274.1757 \| RT:93.5 \| grpid:306 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2037 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175657429697
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2038 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2039 XCMS groupid (grpid): 306
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2040 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2041 PK$NUM_PEAK: 7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2042 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2043 115.086799621582 4384.91125488281 3.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2044 157.133560180664 144051.40234375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2045 161.092239379883 101951.368164062 70.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2046 171.149185180664 83047.671875 57.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2047 175.107788085938 28340.4921875 19.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2048 185.128562927246 53323.5327148438 37.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2049 199.144134521484 8823.5625 6.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2050
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2051 RECORD_TITLE: MZ:277.1029 \| RT:34 \| grpid:311 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2052 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102858679325
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2053 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2054 XCMS groupid (grpid): 311
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2055 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2056 PK$NUM_PEAK: 9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2057 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2058 102.055404663086 50160.4453125 61.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2059 103.058689117432 30321.7890625 37.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2060 130.049987792969 81759.015625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2061 131.053558349609 65911.845703125 80.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2062 148.060333251953 60141.9609375 73.56
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2063 149.063926696777 48054.1865234375 58.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2064 168.065742492676 7964.74584960938 9.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2065 242.085220336914 16946.2666015625 20.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2066 260.095977783203 11718.8095703125 14.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2067
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2068 RECORD_TITLE: MZ:277.1029 \| RT:34 \| grpid:311 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2069 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102858679325
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2070 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2071 XCMS groupid (grpid): 311
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2072 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2073 PK$NUM_PEAK: 9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2074 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2075 102.055404663086 50160.4453125 61.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2076 103.058689117432 30321.7890625 37.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2077 130.049987792969 81759.015625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2078 131.053558349609 65911.845703125 80.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2079 148.060333251953 60141.9609375 73.56
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2080 149.063926696777 48054.1865234375 58.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2081 168.065742492676 7964.74584960938 9.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2082 242.085220336914 16946.2666015625 20.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2083 260.095977783203 11718.8095703125 14.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2084
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2085 RECORD_TITLE: MZ:279.1033 \| RT:63.7 \| grpid:313 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2086 MS$FOCUSED_ION: PRECURSOR_M/Z 279.103270568746
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2087 AC$CHROMATOGRAPHY: RETENTION_TIME 63.683916
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2088 XCMS groupid (grpid): 313
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2089 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2090 PK$NUM_PEAK: 27
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2091 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2092 102.055374145508 99060.15625 12.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2093 104.053268432617 810346.25 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2094 105.037216186523 4860.92724609375 0.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2095 105.119819641113 3536.46728515625 0.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2096 121.028755187988 4230.94873046875 0.52
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2097 122.060264587402 48331.40625 5.96
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2098 130.049957275391 166260.296875 20.52
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2099 130.059768676758 5725.16845703125 0.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2100 131.016021728516 21972.888671875 2.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2101 133.031845092773 643111.375 79.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2102 136.075653076172 6655.1328125 0.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2103 138.59294128418 3106.81518554688 0.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2104 140.033798217773 4807.77783203125 0.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2105 140.070190429688 5408.396484375 0.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2106 142.049545288086 3321.40600585938 0.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2107 147.306976318359 3170.48095703125 0.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2108 149.023406982422 131090.984375 16.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2109 150.058334350586 539588 66.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2110 153.8173828125 2858.638671875 0.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2111 167.081314086914 15029.8408203125 1.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2112 168.065551757812 121723.78125 15.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2113 170.062957763672 31012.787109375 3.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2114 185.091812133789 4823.31982421875 0.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2115 186.126800537109 3235.509765625 0.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2116 216.06852722168 75573.1875 9.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2117 262.074645996094 45437.76171875 5.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2118 279.099304199219 7316.77685546875 0.9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2119
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2120 RECORD_TITLE: MZ:279.1033 \| RT:63.7 \| grpid:313 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2121 MS$FOCUSED_ION: PRECURSOR_M/Z 279.103270568746
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2122 AC$CHROMATOGRAPHY: RETENTION_TIME 63.683916
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2123 XCMS groupid (grpid): 313
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2124 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2125 PK$NUM_PEAK: 27
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2126 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2127 102.055374145508 99060.15625 12.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2128 104.053268432617 810346.25 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2129 105.037216186523 4860.92724609375 0.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2130 105.119819641113 3536.46728515625 0.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2131 121.028755187988 4230.94873046875 0.52
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2132 122.060264587402 48331.40625 5.96
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2133 130.049957275391 166260.296875 20.52
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2134 130.059768676758 5725.16845703125 0.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2135 131.016021728516 21972.888671875 2.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2136 133.031845092773 643111.375 79.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2137 136.075653076172 6655.1328125 0.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2138 138.59294128418 3106.81518554688 0.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2139 140.033798217773 4807.77783203125 0.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2140 140.070190429688 5408.396484375 0.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2141 142.049545288086 3321.40600585938 0.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2142 147.306976318359 3170.48095703125 0.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2143 149.023406982422 131090.984375 16.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2144 150.058334350586 539588 66.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2145 153.8173828125 2858.638671875 0.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2146 167.081314086914 15029.8408203125 1.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2147 168.065551757812 121723.78125 15.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2148 170.062957763672 31012.787109375 3.83
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2150 186.126800537109 3235.509765625 0.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2151 216.06852722168 75573.1875 9.33
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2153 279.099304199219 7316.77685546875 0.9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2154
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2155 RECORD_TITLE: MZ:280.0487 \| RT:70.5 \| grpid:315 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2156 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048703311343
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2157 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2158 XCMS groupid (grpid): 315
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2159 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2160 PK$NUM_PEAK: 64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2161 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2162 116.98596572876 61798.4921875 36.7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2163 120.081001281738 11129.6591796875 6.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2164 122.500762939453 2979.67431640625 1.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2165 123.669364929199 2818.08227539062 1.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2166 124.297996520996 2718.25439453125 1.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2167 126.041282653809 2491.48876953125 1.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2168 134.996688842773 50228.63671875 29.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2169 135.49528503418 2877.74267578125 1.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2170 135.777297973633 2776.31372070312 1.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2171 136.076446533203 2825.89599609375 1.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2172 140.002098083496 10751.1904296875 6.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2173 149.023277282715 8917.1533203125 5.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2174 150.026840209961 13717.3823242188 8.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2175 153.006996154785 5331.53100585938 3.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2176 158.012390136719 19069.6362304688 11.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2177 165.993629455566 13241.3037109375 7.86
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2180 181.017181396484 10685.3251953125 6.35
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2199 212.058746337891 31749.2138671875 18.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2200 214.049499511719 3524.46118164062 2.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2201 216.12255859375 3983.77563476562 2.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2202 220.028350830078 27485.8828125 16.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2203 224.022994995117 39214.3447265625 23.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2204 225.031646728516 4745.40576171875 2.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2205 226.31071472168 2903.41137695312 1.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2206 232.589385986328 3353.01708984375 1.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2207 233.060745239258 14478.4443359375 8.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2208 235.027847290039 17812.7006835938 10.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2209 235.075042724609 10675.3815917969 6.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2210 238.038345336914 112116.19140625 66.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2211 242.033256530762 26456.486328125 15.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2212 247.039764404297 10463.0517578125 6.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2213 252.053573608398 3761.64624023438 2.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2214 253.038848876953 11243.70703125 6.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2215 256.048934936523 168380.69140625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2216 257.906707763672 2842.23803710938 1.69
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2217 258.058746337891 2875.9072265625 1.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2218 260.416839599609 3550.6279296875 2.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2219 261.0546875 50311.10546875 29.88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2220 274.060211181641 10396.4326171875 6.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2221 279.065093994141 38826.17578125 23.06
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2222 279.905609130859 3107.13793945312 1.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2223 280.049163818359 13564.6298828125 8.06
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2224 280.126480102539 3986.17358398438 2.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2225 302.081359863281 12904.4560546875 7.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2226
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2227 RECORD_TITLE: MZ:280.0487 \| RT:70.5 \| grpid:315 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2228 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048703311343
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2229 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2230 XCMS groupid (grpid): 315
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2231 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2232 PK$NUM_PEAK: 64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2233 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2234 116.98596572876 61798.4921875 36.7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2235 120.081001281738 11129.6591796875 6.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2236 122.500762939453 2979.67431640625 1.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2237 123.669364929199 2818.08227539062 1.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2238 124.297996520996 2718.25439453125 1.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2239 126.041282653809 2491.48876953125 1.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2240 134.996688842773 50228.63671875 29.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2241 135.49528503418 2877.74267578125 1.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2242 135.777297973633 2776.31372070312 1.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2243 136.076446533203 2825.89599609375 1.68
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2245 149.023277282715 8917.1533203125 5.3
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2247 153.006996154785 5331.53100585938 3.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2248 158.012390136719 19069.6362304688 11.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2249 165.993629455566 13241.3037109375 7.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2250 169.017456054688 13469.8449707031 8
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2252 181.017181396484 10685.3251953125 6.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2253 183.033027648926 11589.2138671875 6.88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2254 183.073997497559 4341.4931640625 2.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2255 184.004425048828 64257.958984375 38.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2256 187.028060913086 20497.5346679688 12.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2257 189.010116577148 3022.36352539062 1.79
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2260 194.048889160156 30368.8994140625 18.04
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2262 197.012634277344 5415.9453125 3.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2263 199.02751159668 3031.81616210938 1.8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2264 201.04370880127 17200.8422851562 10.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2265 202.015258789062 14707.4057617188 8.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2266 206.012451171875 10541.4848632812 6.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2267 207.019973754883 17314.962890625 10.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2268 208.028656005859 6188.95556640625 3.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2269 209.879653930664 2802.0390625 1.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2270 210.043609619141 38763.333984375 23.02
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2272 214.049499511719 3524.46118164062 2.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2273 216.12255859375 3983.77563476562 2.37
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2275 224.022994995117 39214.3447265625 23.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2276 225.031646728516 4745.40576171875 2.82
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2281 235.075042724609 10675.3815917969 6.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2282 238.038345336914 112116.19140625 66.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2283 242.033256530762 26456.486328125 15.71
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2292 274.060211181641 10396.4326171875 6.17
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2294 279.905609130859 3107.13793945312 1.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2295 280.049163818359 13564.6298828125 8.06
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2296 280.126480102539 3986.17358398438 2.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2297 302.081359863281 12904.4560546875 7.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2298
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2299 RECORD_TITLE: MZ:281.1525 \| RT:75 \| grpid:320 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2300 MS$FOCUSED_ION: PRECURSOR_M/Z 281.15252384442
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2301 AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2302 XCMS groupid (grpid): 320
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2303 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2304 PK$NUM_PEAK: 15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2305 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2306 101.264610290527 2750.7802734375 0.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2307 103.054683685303 29620.525390625 3.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2308 119.951507568359 2629.16333007812 0.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2309 120.081024169922 843602.5625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2310 134.044914245605 4878.39013671875 0.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2311 143.130569458008 2861.20629882812 0.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2312 150.797470092773 2805.65991210938 0.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2313 153.656585693359 2774.79541015625 0.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2314 153.720336914062 3543.21435546875 0.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2315 157.364059448242 2556.23803710938 0.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2316 189.584426879883 3025.72802734375 0.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2317 196.631576538086 2650.54321289062 0.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2318 221.813919067383 2534.84301757812 0.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2319 239.329803466797 2676.6943359375 0.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2320 267.996520996094 2868.07666015625 0.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2321
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2322 RECORD_TITLE: MZ:281.1525 \| RT:75 \| grpid:320 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2323 MS$FOCUSED_ION: PRECURSOR_M/Z 281.15252384442
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2324 AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2325 XCMS groupid (grpid): 320
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2326 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2327 PK$NUM_PEAK: 15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2328 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2329 101.264610290527 2750.7802734375 0.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2330 103.054683685303 29620.525390625 3.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2331 119.951507568359 2629.16333007812 0.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2332 120.081024169922 843602.5625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2333 134.044914245605 4878.39013671875 0.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2334 143.130569458008 2861.20629882812 0.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2335 150.797470092773 2805.65991210938 0.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2336 153.656585693359 2774.79541015625 0.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2337 153.720336914062 3543.21435546875 0.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2338 157.364059448242 2556.23803710938 0.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2339 189.584426879883 3025.72802734375 0.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2340 196.631576538086 2650.54321289062 0.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2341 221.813919067383 2534.84301757812 0.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2342 239.329803466797 2676.6943359375 0.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2343 267.996520996094 2868.07666015625 0.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2344
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2345 RECORD_TITLE: MZ:285.0838 \| RT:83.4 \| grpid:329 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2346 MS$FOCUSED_ION: PRECURSOR_M/Z 285.083759240311
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2347 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2348 XCMS groupid (grpid): 329
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2349 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2350 PK$NUM_PEAK: 10
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2351 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2352 103.039367675781 34832.5 1.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2353 110.035217285156 114180.3125 4.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2354 110.071636199951 9775.0302734375 0.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2355 115.039245605469 143172.0625 5.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2356 128.045837402344 25904.94140625 0.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2357 133.049606323242 164647.703125 6.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2358 136.014129638672 190198.140625 7.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2359 153.040679931641 2656807.5 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2360 154.024673461914 285199.78125 10.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2361 154.037750244141 3651.73815917969 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2362
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2363 RECORD_TITLE: MZ:285.0838 \| RT:83.4 \| grpid:329 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2364 MS$FOCUSED_ION: PRECURSOR_M/Z 285.083759240311
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2365 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2366 XCMS groupid (grpid): 329
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2367 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2368 PK$NUM_PEAK: 10
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2369 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2370 103.039367675781 34832.5 1.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2371 110.035217285156 114180.3125 4.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2372 110.071636199951 9775.0302734375 0.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2373 115.039245605469 143172.0625 5.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2374 128.045837402344 25904.94140625 0.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2375 133.049606323242 164647.703125 6.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2376 136.014129638672 190198.140625 7.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2377 153.040679931641 2656807.5 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2378 154.024673461914 285199.78125 10.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2379 154.037750244141 3651.73815917969 0.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2380
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2381 RECORD_TITLE: MZ:287.052 \| RT:43.2 \| grpid:332 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2382 MS$FOCUSED_ION: PRECURSOR_M/Z 287.052049791825
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2383 AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2384 XCMS groupid (grpid): 332
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2385 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2386 PK$NUM_PEAK: 12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2387 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2388 111.116577148438 2635.97485351562 3.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2389 113.805793762207 2529.7333984375 3.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2390 127.086990356445 3527.62426757812 5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2391 160.03483581543 3110.06176757812 4.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2392 176.903930664062 2737.58935546875 3.88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2393 194.251007080078 2985.20288085938 4.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2394 200.040542602539 2946.06127929688 4.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2395 214.034713745117 5480.310546875 7.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2396 230.111846923828 3778.5263671875 5.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2397 269.040222167969 2981.3544921875 4.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2398 287.050201416016 70541.3828125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2399 304.021636962891 2973.06982421875 4.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2400
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2401 RECORD_TITLE: MZ:287.052 \| RT:43.2 \| grpid:332 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2402 MS$FOCUSED_ION: PRECURSOR_M/Z 287.052049791825
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2403 AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2404 XCMS groupid (grpid): 332
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2405 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2406 PK$NUM_PEAK: 12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2407 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2408 111.116577148438 2635.97485351562 3.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2409 113.805793762207 2529.7333984375 3.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2410 127.086990356445 3527.62426757812 5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2411 160.03483581543 3110.06176757812 4.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2412 176.903930664062 2737.58935546875 3.88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2413 194.251007080078 2985.20288085938 4.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2414 200.040542602539 2946.06127929688 4.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2415 214.034713745117 5480.310546875 7.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2416 230.111846923828 3778.5263671875 5.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2417 269.040222167969 2981.3544921875 4.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2418 287.050201416016 70541.3828125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2419 304.021636962891 2973.06982421875 4.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2420
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2421 RECORD_TITLE: MZ:292.1947 \| RT:44.8 \| grpid:346 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2422 MS$FOCUSED_ION: PRECURSOR_M/Z 292.194651731624
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2423 AC$CHROMATOGRAPHY: RETENTION_TIME 44.7995376
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2424 XCMS groupid (grpid): 346
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2425 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2426 PK$NUM_PEAK: 17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2427 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2428 112.08748626709 146886.8125 0.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2429 112.094039916992 21488.705078125 0.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2430 113.071746826172 19570.8203125 0.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2431 114.102615356445 20782.029296875 0.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2432 115.087265014648 22572.4765625 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2433 116.070877075195 1167010.625 6.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2434 118.086471557617 17936758 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2435 130.088272094727 18935.30078125 0.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2436 130.097534179688 535976.9375 2.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2437 157.108123779297 159862.4375 0.89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2438 158.092407226562 499801.9375 2.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2439 173.093551635742 16882.005859375 0.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2440 175.118896484375 6728599.5 37.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2441 248.061279296875 26782.0078125 0.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2442 287.312866210938 15858.4033203125 0.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2443 303.088562011719 14864.9921875 0.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2444 309.474395751953 14699.423828125 0.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2445
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2446 RECORD_TITLE: MZ:292.1947 \| RT:44.8 \| grpid:346 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2447 MS$FOCUSED_ION: PRECURSOR_M/Z 292.194651731624
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2448 AC$CHROMATOGRAPHY: RETENTION_TIME 44.7995376
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2449 XCMS groupid (grpid): 346
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2450 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2451 PK$NUM_PEAK: 17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2452 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2453 112.08748626709 146886.8125 0.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2454 112.094039916992 21488.705078125 0.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2455 113.071746826172 19570.8203125 0.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2456 114.102615356445 20782.029296875 0.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2457 115.087265014648 22572.4765625 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2458 116.070877075195 1167010.625 6.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2459 118.086471557617 17936758 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2460 130.088272094727 18935.30078125 0.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2461 130.097534179688 535976.9375 2.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2462 157.108123779297 159862.4375 0.89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2463 158.092407226562 499801.9375 2.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2464 173.093551635742 16882.005859375 0.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2465 175.118896484375 6728599.5 37.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2466 248.061279296875 26782.0078125 0.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2467 287.312866210938 15858.4033203125 0.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2468 303.088562011719 14864.9921875 0.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2469 309.474395751953 14699.423828125 0.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2470
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2471 RECORD_TITLE: MZ:294.1544 \| RT:92.7 \| grpid:350 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2472 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154362544209
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2473 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2474 XCMS groupid (grpid): 350
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2475 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2476 PK$NUM_PEAK: 23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2477 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2478 100.039585113525 9444.572265625 2.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2479 100.112510681152 4955.95324707031 1.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2480 112.039520263672 31905.9140625 7.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2481 127.039150238037 61312.3046875 13.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2482 128.107162475586 42391.6171875 9.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2483 132.102005004883 103454.9296875 23.01
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2484 138.054862976074 10511.0197753906 2.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2485 143.057632446289 38482.171875 8.56
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2486 144.101860046387 65653.876953125 14.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2487 145.049560546875 9926.17553710938 2.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2488 156.065551757812 4761.87841796875 1.06
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2489 161.068237304688 45802.732421875 10.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2490 164.107009887695 19570.392578125 4.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2491 168.101844787598 17490.9350585938 3.89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2492 170.117294311523 17648.171875 3.93
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2493 182.117782592773 6638.52709960938 1.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2494 194.117576599121 10761.9438476562 2.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2495 210.112579345703 30784.28515625 6.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2496 212.128120422363 113259.09375 25.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2497 230.138610839844 449533.796875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2498 248.149200439453 51917.765625 11.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2499 258.133483886719 262517.1796875 58.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2500 276.143981933594 282184.421875 62.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2501
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2502 RECORD_TITLE: MZ:294.1544 \| RT:92.7 \| grpid:350 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2503 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154362544209
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2504 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2505 XCMS groupid (grpid): 350
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2506 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2507 PK$NUM_PEAK: 23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2508 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2509 100.039585113525 9444.572265625 2.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2510 100.112510681152 4955.95324707031 1.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2511 112.039520263672 31905.9140625 7.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2512 127.039150238037 61312.3046875 13.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2513 128.107162475586 42391.6171875 9.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2514 132.102005004883 103454.9296875 23.01
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2515 138.054862976074 10511.0197753906 2.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2516 143.057632446289 38482.171875 8.56
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2517 144.101860046387 65653.876953125 14.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2518 145.049560546875 9926.17553710938 2.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2519 156.065551757812 4761.87841796875 1.06
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2520 161.068237304688 45802.732421875 10.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2521 164.107009887695 19570.392578125 4.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2522 168.101844787598 17490.9350585938 3.89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2523 170.117294311523 17648.171875 3.93
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2524 182.117782592773 6638.52709960938 1.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2525 194.117576599121 10761.9438476562 2.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2526 210.112579345703 30784.28515625 6.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2527 212.128120422363 113259.09375 25.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2528 230.138610839844 449533.796875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2529 248.149200439453 51917.765625 11.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2530 258.133483886719 262517.1796875 58.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2531 276.143981933594 282184.421875 62.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2532
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2533 RECORD_TITLE: MZ:295.1284 \| RT:76.5 \| grpid:353 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2534 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128370886131
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2535 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2536 XCMS groupid (grpid): 353
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2537 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2538 PK$NUM_PEAK: 17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2539 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2540 102.055332183838 142006.7578125 1.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2541 103.047687530518 8375.70458984375 0.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2542 103.054668426514 268094.84375 3.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2543 120.080982208252 8079321.5 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2544 130.049942016602 198549.390625 2.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2545 131.049301147461 36250.283203125 0.45
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2546 138.368667602539 5218.921875 0.06
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2547 148.060356140137 534186.1875 6.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2548 148.891082763672 5547.021484375 0.07
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2549 177.852951049805 5688.75244140625 0.07
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2550 186.091201782227 6964.56787109375 0.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2551 249.123100280762 17289.486328125 0.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2552 256.870849609375 6559.6240234375 0.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2553 260.092071533203 5487.70556640625 0.07
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2554 277.120513916016 6250.375 0.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2555 288.727630615234 5923.0712890625 0.07
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2556 295.128723144531 58788.61328125 0.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2557
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2558 RECORD_TITLE: MZ:295.1284 \| RT:76.5 \| grpid:353 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2559 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128370886131
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2560 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2561 XCMS groupid (grpid): 353
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2562 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2563 PK$NUM_PEAK: 17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2564 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2565 102.055332183838 142006.7578125 1.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2566 103.047687530518 8375.70458984375 0.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2567 103.054668426514 268094.84375 3.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2568 120.080982208252 8079321.5 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2569 130.049942016602 198549.390625 2.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2570 131.049301147461 36250.283203125 0.45
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2571 138.368667602539 5218.921875 0.06
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2572 148.060356140137 534186.1875 6.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2573 148.891082763672 5547.021484375 0.07
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2574 177.852951049805 5688.75244140625 0.07
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2575 186.091201782227 6964.56787109375 0.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2576 249.123100280762 17289.486328125 0.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2577 256.870849609375 6559.6240234375 0.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2578 260.092071533203 5487.70556640625 0.07
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2579 277.120513916016 6250.375 0.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2580 288.727630615234 5923.0712890625 0.07
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2581 295.128723144531 58788.61328125 0.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2582
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2583 RECORD_TITLE: MZ:296.0658 \| RT:42.4 \| grpid:354 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2584 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065756003644
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2585 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2586 XCMS groupid (grpid): 354
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2587 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2588 PK$NUM_PEAK: 17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2589 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2590 104.107410430908 45445.0532226562 28.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2591 110.071598052979 51516.23046875 32.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2592 120.003589630127 9061.71264648438 5.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2593 123.053497314453 3491.818359375 2.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2594 134.01887512207 106217.15625 66.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2595 136.075775146484 159790.208984375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2596 151.047775268555 36674.7578125 22.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2597 152.031753540039 35819.25 22.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2598 164.930152893066 28944.359375 18.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2599 169.058418273926 38966.01171875 24.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2600 169.094543457031 6104.97998046875 3.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2601 180.001739501953 3172.265625 1.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2602 180.903884887695 14926.0913085938 9.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2603 253.0791015625 5362.046875 3.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2604 280.089813232422 7840.12280273438 4.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2605 281.073699951172 8634.50512695312 5.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2606 298.06755065918 7433.56958007812 4.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2607
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2608 RECORD_TITLE: MZ:296.0658 \| RT:42.4 \| grpid:354 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2609 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065756003644
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2610 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2611 XCMS groupid (grpid): 354
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2612 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2613 PK$NUM_PEAK: 17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2614 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2615 104.107410430908 45445.0532226562 28.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2616 110.071598052979 51516.23046875 32.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2617 120.003589630127 9061.71264648438 5.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2618 123.053497314453 3491.818359375 2.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2619 134.01887512207 106217.15625 66.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2620 136.075775146484 159790.208984375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2621 151.047775268555 36674.7578125 22.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2622 152.031753540039 35819.25 22.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2623 164.930152893066 28944.359375 18.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2624 169.058418273926 38966.01171875 24.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2625 169.094543457031 6104.97998046875 3.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2626 180.001739501953 3172.265625 1.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2627 180.903884887695 14926.0913085938 9.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2628 253.0791015625 5362.046875 3.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2629 280.089813232422 7840.12280273438 4.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2630 281.073699951172 8634.50512695312 5.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2631 298.06755065918 7433.56958007812 4.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2632
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2633 RECORD_TITLE: MZ:302.1706 \| RT:88.9 \| grpid:369 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2634 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170645577843
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2635 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2636 XCMS groupid (grpid): 369
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2637 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2638 PK$NUM_PEAK: 11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2639 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2640 111.092044830322 3689.33081054688 1.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2641 116.070919036865 336741.171875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2642 159.112739562988 52682.78515625 15.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2643 167.081245422363 3685.39794921875 1.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2644 167.082145690918 4190.14318847656 1.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2645 171.07633972168 4355.65686035156 1.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2646 185.092567443848 8349.00219726562 2.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2647 187.107933044434 19301.447265625 5.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2648 189.086318969727 22890.203125 6.8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2649 203.102607727051 91094.42578125 27.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2650 213.087280273438 7243.43408203125 2.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2651
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2652 RECORD_TITLE: MZ:302.1706 \| RT:88.9 \| grpid:369 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2653 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170645577843
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2654 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2655 XCMS groupid (grpid): 369
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2656 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2657 PK$NUM_PEAK: 11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2658 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2659 111.092044830322 3689.33081054688 1.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2660 116.070919036865 336741.171875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2661 159.112739562988 52682.78515625 15.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2662 167.081245422363 3685.39794921875 1.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2663 167.082145690918 4190.14318847656 1.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2664 171.07633972168 4355.65686035156 1.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2665 185.092567443848 8349.00219726562 2.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2666 187.107933044434 19301.447265625 5.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2667 189.086318969727 22890.203125 6.8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2668 203.102607727051 91094.42578125 27.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2669 213.087280273438 7243.43408203125 2.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2670
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2671 RECORD_TITLE: MZ:303.1651 \| RT:61.4 \| grpid:373 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2672 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165091499144
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2673 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2674 XCMS groupid (grpid): 373
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2675 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2676 PK$NUM_PEAK: 41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2677 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2678 101.071464538574 18300.72265625 15.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2679 110.023998260498 48480.4204101562 40.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2680 113.107967376709 3844.98352050781 3.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2681 124.03946685791 13353.3503417969 11.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2682 124.075870513916 5861.478515625 4.93
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2683 127.050140380859 4493.58642578125 3.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2684 129.066055297852 4448.10009765625 3.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2685 129.102584838867 12039.0185546875 10.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2686 130.049987792969 118967.69140625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2687 131.045135498047 25015.6328125 21.03
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2688 138.091522216797 15838.521484375 13.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2689 141.065841674805 13160.8203125 11.06
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2690 141.102478027344 16653.923828125 14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2691 143.118049621582 114683.799316406 96.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2692 147.076370239258 63123.45703125 53.06
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2693 152.03392791748 4913.28955078125 4.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2694 152.070350646973 12275.3500976562 10.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2695 155.04541015625 5225.84326171875 4.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2696 155.118179321289 7250.77001953125 6.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2697 156.02904510498 104355.20703125 87.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2698 157.097358703613 9219.17309570312 7.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2699 158.092620849609 18440.1302490234 15.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2700 169.060928344727 6712.3115234375 5.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2701 170.044723510742 58722.150390625 49.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2702 171.112854003906 12748.3640136719 10.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2703 172.071853637695 12358.83984375 10.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2704 173.055656433105 101685.10546875 85.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2705 182.129089355469 23088.28125 19.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2706 183.112991333008 70923.25 59.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2707 186.087554931641 6614.74169921875 5.56
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2708 187.071189880371 61023.685546875 51.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2709 190.082206726074 87795.796875 73.8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2710 199.107192993164 6823.1240234375 5.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2711 200.139785766602 12713.0029296875 10.69
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2712 204.097816467285 67561.6640625 56.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2713 211.107727050781 19553.7563476562 16.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2714 223.107292175293 15609.9038085938 13.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2715 228.134773254395 16161.6909179688 13.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2716 258.145492553711 12506.9262695312 10.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2717 261.076461791992 5600.09375 4.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2718 285.155197143555 19601.1606445312 16.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2719
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2720 RECORD_TITLE: MZ:303.1651 \| RT:61.4 \| grpid:373 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2721 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165091499144
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2722 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2723 XCMS groupid (grpid): 373
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2724 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2725 PK$NUM_PEAK: 41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2726 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2727 101.071464538574 18300.72265625 15.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2728 110.023998260498 48480.4204101562 40.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2729 113.107967376709 3844.98352050781 3.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2730 124.03946685791 13353.3503417969 11.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2731 124.075870513916 5861.478515625 4.93
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2732 127.050140380859 4493.58642578125 3.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2733 129.066055297852 4448.10009765625 3.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2734 129.102584838867 12039.0185546875 10.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2735 130.049987792969 118967.69140625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2736 131.045135498047 25015.6328125 21.03
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2737 138.091522216797 15838.521484375 13.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2738 141.065841674805 13160.8203125 11.06
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2739 141.102478027344 16653.923828125 14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2740 143.118049621582 114683.799316406 96.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2741 147.076370239258 63123.45703125 53.06
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2742 152.03392791748 4913.28955078125 4.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2743 152.070350646973 12275.3500976562 10.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2744 155.04541015625 5225.84326171875 4.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2745 155.118179321289 7250.77001953125 6.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2746 156.02904510498 104355.20703125 87.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2747 157.097358703613 9219.17309570312 7.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2748 158.092620849609 18440.1302490234 15.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2749 169.060928344727 6712.3115234375 5.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2750 170.044723510742 58722.150390625 49.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2751 171.112854003906 12748.3640136719 10.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2752 172.071853637695 12358.83984375 10.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2753 173.055656433105 101685.10546875 85.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2754 182.129089355469 23088.28125 19.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2755 183.112991333008 70923.25 59.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2756 186.087554931641 6614.74169921875 5.56
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2758 190.082206726074 87795.796875 73.8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2759 199.107192993164 6823.1240234375 5.74
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2761 204.097816467285 67561.6640625 56.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2762 211.107727050781 19553.7563476562 16.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2763 223.107292175293 15609.9038085938 13.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2764 228.134773254395 16161.6909179688 13.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2765 258.145492553711 12506.9262695312 10.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2766 261.076461791992 5600.09375 4.71
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2769 RECORD_TITLE: MZ:306.1653 \| RT:60.6 \| grpid:379 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2770 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165343359271
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2771 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2772 XCMS groupid (grpid): 379
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2773 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2774 PK$NUM_PEAK: 39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2775 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2776 102.055488586426 3576.6201171875 2.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2777 106.050338745117 60478.6015625 38.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2778 112.64949798584 2889.20166015625 1.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2779 114.09162902832 24265.951171875 15.52
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2780 116.034889221191 3464.34204101562 2.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2781 116.070892333984 42441.279296875 27.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2782 118.086521148682 12694.5551757812 8.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2783 120.065841674805 5843.3857421875 3.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2784 125.10701751709 6236.45361328125 3.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2785 125.107727050781 4460.64892578125 2.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2786 143.08162689209 16575.1611328125 10.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2787 145.061111450195 4047.91162109375 2.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2788 155.118011474609 5382.689453125 3.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2789 155.11897277832 3734.548828125 2.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2790 157.060935974121 24250.25 15.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2791 159.112808227539 156353.765625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2792 159.113739013672 3697.47241210938 2.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2793 161.092155456543 34923.1943359375 22.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2794 166.177749633789 2888.244140625 1.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2795 171.077407836914 4816.36328125 3.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2796 173.128448486328 89239.515625 57.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2797 175.071128845215 43445.947265625 27.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2798 183.112617492676 4955.513671875 3.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2799 187.107650756836 12120.2392578125 7.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2800 189.087104797363 19462.6240234375 12.45
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2801 193.081977844238 92993.50390625 59.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2802 198.921890258789 3008.00170898438 1.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2803 201.123252868652 39084.212890625 25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2804 202.244415283203 3381.41357421875 2.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2805 205.11808013916 20551.8833007812 13.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2806 207.097396850586 3845.00024414062 2.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2807 208.270767211914 3350.55541992188 2.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2808 219.135238647461 3163.32836914062 2.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2809 255.378860473633 3034.83129882812 1.94
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2810 270.143188476562 3606.33642578125 2.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2811 276.966583251953 3468.1474609375 2.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2812 304.058044433594 3342.54663085938 2.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2813 304.39501953125 3399.11840820312 2.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2814 309.902038574219 3108.3212890625 1.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2815
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2816 RECORD_TITLE: MZ:306.1653 \| RT:60.6 \| grpid:379 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2817 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165343359271
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2818 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2819 XCMS groupid (grpid): 379
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2820 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2821 PK$NUM_PEAK: 39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2822 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2823 102.055488586426 3576.6201171875 2.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2824 106.050338745117 60478.6015625 38.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2825 112.64949798584 2889.20166015625 1.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2826 114.09162902832 24265.951171875 15.52
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2827 116.034889221191 3464.34204101562 2.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2828 116.070892333984 42441.279296875 27.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2829 118.086521148682 12694.5551757812 8.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2830 120.065841674805 5843.3857421875 3.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2831 125.10701751709 6236.45361328125 3.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2832 125.107727050781 4460.64892578125 2.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2833 143.08162689209 16575.1611328125 10.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2834 145.061111450195 4047.91162109375 2.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2835 155.118011474609 5382.689453125 3.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2836 155.11897277832 3734.548828125 2.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2837 157.060935974121 24250.25 15.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2838 159.112808227539 156353.765625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2839 159.113739013672 3697.47241210938 2.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2840 161.092155456543 34923.1943359375 22.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2841 166.177749633789 2888.244140625 1.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2842 171.077407836914 4816.36328125 3.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2843 173.128448486328 89239.515625 57.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2844 175.071128845215 43445.947265625 27.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2845 183.112617492676 4955.513671875 3.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2846 187.107650756836 12120.2392578125 7.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2847 189.087104797363 19462.6240234375 12.45
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2848 193.081977844238 92993.50390625 59.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2849 198.921890258789 3008.00170898438 1.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2850 201.123252868652 39084.212890625 25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2851 202.244415283203 3381.41357421875 2.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2852 205.11808013916 20551.8833007812 13.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2853 207.097396850586 3845.00024414062 2.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2854 208.270767211914 3350.55541992188 2.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2855 219.135238647461 3163.32836914062 2.02
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2857 270.143188476562 3606.33642578125 2.31
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2859 304.058044433594 3342.54663085938 2.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2860 304.39501953125 3399.11840820312 2.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2861 309.902038574219 3108.3212890625 1.99
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2863 RECORD_TITLE: MZ:307.0652 \| RT:83.4 \| grpid:381 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2864 MS$FOCUSED_ION: PRECURSOR_M/Z 307.065221870812
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2865 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2866 XCMS groupid (grpid): 381
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2867 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2868 PK$NUM_PEAK: 14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2869 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2870 118.766929626465 2792.95947265625 0.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2871 133.049362182617 4987.00708007812 0.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2872 155.031463623047 6253.12939453125 0.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2873 155.032363891602 3902.88134765625 0.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2874 156.391296386719 3223.2578125 0.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2875 173.128509521484 4659.6298828125 0.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2876 174.131927490234 11407.2829589844 0.88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2877 175.022644042969 1303447.25 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2878 193.032424926758 3446.2578125 0.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2879 193.298492431641 2871.95751953125 0.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2880 194.809097290039 2825.58129882812 0.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2881 216.04899597168 19431.1591796875 1.49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2882 294.689575195312 3187.49096679688 0.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2883 307.064880371094 112655.33203125 8.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2884
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2885 RECORD_TITLE: MZ:307.0652 \| RT:83.4 \| grpid:381 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2886 MS$FOCUSED_ION: PRECURSOR_M/Z 307.065221870812
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2887 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2888 XCMS groupid (grpid): 381
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2889 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2890 PK$NUM_PEAK: 14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2891 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2892 118.766929626465 2792.95947265625 0.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2893 133.049362182617 4987.00708007812 0.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2894 155.031463623047 6253.12939453125 0.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2895 155.032363891602 3902.88134765625 0.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2896 156.391296386719 3223.2578125 0.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2897 173.128509521484 4659.6298828125 0.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2898 174.131927490234 11407.2829589844 0.88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2899 175.022644042969 1303447.25 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2900 193.032424926758 3446.2578125 0.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2901 193.298492431641 2871.95751953125 0.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2902 194.809097290039 2825.58129882812 0.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2903 216.04899597168 19431.1591796875 1.49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2904 294.689575195312 3187.49096679688 0.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2905 307.064880371094 112655.33203125 8.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2906
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2907 RECORD_TITLE: MZ:310.1362 \| RT:64.4 \| grpid:390 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2908 MS$FOCUSED_ION: PRECURSOR_M/Z 310.136154574354
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2909 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2910 XCMS groupid (grpid): 390
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2911 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2912 PK$NUM_PEAK: 8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2913 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2914 112.037281036377 85147.5859375 27.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2915 136.075698852539 6109.5654296875 1.94
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2916 140.068290710449 10018.8166503906 3.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2917 150.052665710449 61469.9375 19.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2918 211.104759216309 13888.5063476562 4.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2919 221.125801086426 5436.90771484375 1.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2920 239.136528015137 118789.87890625 37.69
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2921 310.173461914062 315141.34375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2922
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2923 RECORD_TITLE: MZ:310.1362 \| RT:64.4 \| grpid:390 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2924 MS$FOCUSED_ION: PRECURSOR_M/Z 310.136154574354
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2925 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2926 XCMS groupid (grpid): 390
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2927 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2928 PK$NUM_PEAK: 8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2929 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2930 112.037281036377 85147.5859375 27.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2931 136.075698852539 6109.5654296875 1.94
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2932 140.068290710449 10018.8166503906 3.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2933 150.052665710449 61469.9375 19.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2934 211.104759216309 13888.5063476562 4.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2935 221.125801086426 5436.90771484375 1.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2936 239.136528015137 118789.87890625 37.69
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2937 310.173461914062 315141.34375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2938
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2939 RECORD_TITLE: MZ:311.1234 \| RT:60.6 \| grpid:391 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2940 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123379951208
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2941 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2942 XCMS groupid (grpid): 391
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2943 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2944 PK$NUM_PEAK: 26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2945 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2946 102.055355072021 50134.0400390625 6.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2947 107.04927444458 12013.4572753906 1.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2948 119.049381256104 147124.9453125 17.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2949 120.052787780762 10326.5603027344 1.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2950 121.065071105957 11237.3334960938 1.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2951 123.044284820557 212768.369140625 25.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2952 125.071075439453 5314.79223632812 0.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2953 130.049957275391 172159.390625 20.96
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2954 131.053672790527 29080.9599609375 3.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2955 136.075721740723 821289.8125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2956 137.060760498047 3881.92492675781 0.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2957 137.079208374023 93793.65625 11.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2958 147.043998718262 117812.943359375 14.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2959 147.076271057129 46299.0361328125 5.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2960 148.079872131348 27249.5419921875 3.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2961 153.065826416016 16059.1528320312 1.96
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2962 165.054618835449 473759.9296875 57.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2963 182.081199645996 298031.328125 36.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2964 202.086204528809 92862.9609375 11.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2965 208.105644226074 6027.32958984375 0.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2966 212.064224243164 40951.513671875 4.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2967 247.107452392578 206649.390625 25.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2968 248.09130859375 111737.50390625 13.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2969 294.09651184082 75939.826171875 9.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2970 311.131500244141 43559.3193359375 5.3
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2972
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2973 RECORD_TITLE: MZ:311.1234 \| RT:60.6 \| grpid:391 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2974 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123379951208
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2975 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2976 XCMS groupid (grpid): 391
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2977 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2978 PK$NUM_PEAK: 26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2979 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2980 102.055355072021 50134.0400390625 6.1
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2982 119.049381256104 147124.9453125 17.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2983 120.052787780762 10326.5603027344 1.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2984 121.065071105957 11237.3334960938 1.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2985 123.044284820557 212768.369140625 25.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2986 125.071075439453 5314.79223632812 0.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2987 130.049957275391 172159.390625 20.96
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2988 131.053672790527 29080.9599609375 3.54
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2992 147.043998718262 117812.943359375 14.34
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2995 153.065826416016 16059.1528320312 1.96
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2996 165.054618835449 473759.9296875 57.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	2997 182.081199645996 298031.328125 36.29
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3002 248.09130859375 111737.50390625 13.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3003 294.09651184082 75939.826171875 9.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3004 311.131500244141 43559.3193359375 5.3
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3007 RECORD_TITLE: MZ:313.1745 \| RT:70.5 \| grpid:397 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3008 MS$FOCUSED_ION: PRECURSOR_M/Z 313.174482616203
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3009 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3010 XCMS groupid (grpid): 397
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3011 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3012 PK$NUM_PEAK: 19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3013 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3014 101.525428771973 4244.95068359375 35.51
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3019 126.253456115723 3662.13037109375 30.64
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3021 136.075408935547 7209.80151367188 60.32
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3023 150.716735839844 4027.36254882812 33.69
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3026 183.308929443359 3979.28833007812 33.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3027 190.214126586914 3634.75854492188 30.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3028 275.897308349609 4505.84912109375 37.7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3029 285.324310302734 4988.541015625 41.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3030 313.157730102539 5351.81689453125 44.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3031 324.759063720703 3623.89794921875 30.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3032 329.386474609375 3902.72241210938 32.65
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3034 RECORD_TITLE: MZ:313.1745 \| RT:70.5 \| grpid:397 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3035 MS$FOCUSED_ION: PRECURSOR_M/Z 313.174482616203
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3036 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3037 XCMS groupid (grpid): 397
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3038 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3041 101.525428771973 4244.95068359375 35.51
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3054 190.214126586914 3634.75854492188 30.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3055 275.897308349609 4505.84912109375 37.7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3056 285.324310302734 4988.541015625 41.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3057 313.157730102539 5351.81689453125 44.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3058 324.759063720703 3623.89794921875 30.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3059 329.386474609375 3902.72241210938 32.65
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3061 RECORD_TITLE: MZ:317.1788 \| RT:69.2 \| grpid:407 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3062 MS$FOCUSED_ION: PRECURSOR_M/Z 317.178762768594
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3063 AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3064 XCMS groupid (grpid): 407
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3065 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3066 PK$NUM_PEAK: 59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3067 PK$PEAK: m/z int. rel.int.
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3071 111.924682617188 2987.87060546875 1.5
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3076 124.039489746094 95420.796875 47.83
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3079 127.08674621582 14919.6650390625 7.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3080 129.065933227539 16939.873046875 8.49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3081 129.102073669434 5174.90893554688 2.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3082 129.56950378418 3229.58862304688 1.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3083 131.118225097656 17803.7077636719 8.92
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3100 169.060424804688 5067.861328125 2.54
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3105 182.128387451172 56813.08203125 28.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3106 183.076568603516 32172.50390625 16.13
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3108 185.128265380859 24880.546875 12.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3109 186.08716583252 24211.0078125 12.14
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3111 189.123641967773 17734.556640625 8.89
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3115 201.124221801758 4613.8994140625 2.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3116 204.097801208496 76574.49609375 38.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3117 208.096878051758 5119.6318359375 2.57
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3122 245.35807800293 3679.95971679688 1.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3123 255.133773803711 6747.7666015625 3.38
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3126 317.116455078125 4209.64306640625 2.11
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3128 RECORD_TITLE: MZ:317.1788 \| RT:69.2 \| grpid:407 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3129 MS$FOCUSED_ION: PRECURSOR_M/Z 317.178762768594
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3130 AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3131 XCMS groupid (grpid): 407
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3132 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3133 PK$NUM_PEAK: 59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3134 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3135 100.000617980957 2764.93823242188 1.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3136 101.071342468262 52776.33203125 26.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3137 110.060340881348 24591.759765625 12.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3138 111.924682617188 2987.87060546875 1.5
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3143 124.039489746094 95420.796875 47.83
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3148 129.102073669434 5174.90893554688 2.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3149 129.56950378418 3229.58862304688 1.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3150 131.118225097656 17803.7077636719 8.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3151 133.050811767578 7192.8984375 3.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3152 133.060806274414 179811.671875 90.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3153 138.091178894043 11768.0251464844 5.9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3154 141.065505981445 5540.62353515625 2.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3155 141.102127075195 18097.263671875 9.07
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3156 141.112274169922 3000.49243164062 1.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3157 143.117965698242 4690.75146484375 2.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3158 145.060546875 39804.20703125 19.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3159 154.09748840332 199481.4375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3160 154.110397338867 6653.892578125 3.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3161 155.015762329102 4930.830078125 2.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3162 155.081466674805 134560.96875 67.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3163 155.117683410645 9135.45166015625 4.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3164 155.152099609375 3026.45239257812 1.52
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3165 157.133438110352 94024.890625 47.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3166 158.092193603516 6244.7109375 3.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3167 169.060424804688 5067.861328125 2.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3168 170.044631958008 96956.9140625 48.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3169 172.10791015625 36266.9609375 18.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3170 178.415512084961 2798.56494140625 1.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3171 182.092483520508 98820.796875 49.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3172 182.128387451172 56813.08203125 28.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3173 183.076568603516 32172.50390625 16.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3174 183.112602233887 49895.705078125 25.01
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3175 185.128265380859 24880.546875 12.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3176 186.08716583252 24211.0078125 12.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3177 187.071311950684 88360.20703125 44.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3178 189.123641967773 17734.556640625 8.89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3179 196.948913574219 2996.55834960938 1.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3180 200.103057861328 19847.759765625 9.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3181 200.139114379883 16344.5825195312 8.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3182 201.124221801758 4613.8994140625 2.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3183 204.097801208496 76574.49609375 38.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3184 208.096878051758 5119.6318359375 2.57
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3185 210.124572753906 14695.6591796875 7.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3186 211.107757568359 18789.5859375 9.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3187 225.123199462891 4797.7587890625 2.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3188 228.134841918945 26519.537109375 13.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3189 245.35807800293 3679.95971679688 1.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3190 255.133773803711 6747.7666015625 3.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3191 272.159423828125 10641.6845703125 5.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3192 299.171508789062 68947.8515625 34.56
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3193 317.116455078125 4209.64306640625 2.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3194
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3195 RECORD_TITLE: MZ:320.1805 \| RT:62.9 \| grpid:415 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3196 MS$FOCUSED_ION: PRECURSOR_M/Z 320.180476490627
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3197 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3198 XCMS groupid (grpid): 415
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3199 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3200 PK$NUM_PEAK: 33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3201 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3202 101.071388244629 143180.492919922 20.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3203 102.055271148682 24799.04296875 3.57
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3204 110.071514129639 4683.70764160156 0.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3205 110.096813201904 52555.44140625 7.56
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3206 112.075988769531 34526.7607421875 4.97
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3207 112.112503051758 26669.7333984375 3.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3208 113.071197509766 4852.32629394531 0.7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3209 118.086502075195 21080.421875 3.03
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3210 120.065803527832 56865.564453125 8.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3211 128.107093811035 220110.3671875 31.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3212 129.102348327637 93544.12890625 13.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3213 130.049896240234 14120.724609375 2.03
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3214 130.086334228516 207334.921875 29.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3215 138.09105682373 10252.4157714844 1.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3216 141.065902709961 4718.63427734375 0.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3217 142.122779846191 7076.05712890625 1.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3218 144.102104187012 3472.76672363281 0.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3219 155.117156982422 16230.1065673828 2.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3220 155.118110656738 19353.3371582031 2.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3221 157.097038269043 24982.0411376953 3.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3222 159.076553344727 9673.98974609375 1.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3223 173.128372192383 694732.190429688 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3224 175.107643127441 98712.125 14.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3225 183.112533569336 5188.830078125 0.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3226 185.092224121094 11217.31640625 1.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3227 187.144203186035 13531.6088867188 1.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3228 201.123428344727 75863.087890625 10.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3229 203.102951049805 40584.607421875 5.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3230 207.097984313965 13394.4077148438 1.93
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3231 219.133766174316 27715.28515625 3.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3232 224.080978393555 4571.36254882812 0.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3233 258.145965576172 26688.8759765625 3.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3234 302.170928955078 15033.4965820312 2.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3235
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3236 RECORD_TITLE: MZ:320.1805 \| RT:62.9 \| grpid:415 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3237 MS$FOCUSED_ION: PRECURSOR_M/Z 320.180476490627
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3238 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3239 XCMS groupid (grpid): 415
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3240 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3241 PK$NUM_PEAK: 33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3242 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3243 101.071388244629 143180.492919922 20.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3244 102.055271148682 24799.04296875 3.57
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3245 110.071514129639 4683.70764160156 0.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3246 110.096813201904 52555.44140625 7.56
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3247 112.075988769531 34526.7607421875 4.97
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3248 112.112503051758 26669.7333984375 3.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3249 113.071197509766 4852.32629394531 0.7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3250 118.086502075195 21080.421875 3.03
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3251 120.065803527832 56865.564453125 8.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3252 128.107093811035 220110.3671875 31.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3253 129.102348327637 93544.12890625 13.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3254 130.049896240234 14120.724609375 2.03
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3255 130.086334228516 207334.921875 29.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3256 138.09105682373 10252.4157714844 1.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3257 141.065902709961 4718.63427734375 0.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3258 142.122779846191 7076.05712890625 1.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3259 144.102104187012 3472.76672363281 0.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3260 155.117156982422 16230.1065673828 2.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3261 155.118110656738 19353.3371582031 2.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3262 157.097038269043 24982.0411376953 3.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3263 159.076553344727 9673.98974609375 1.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3264 173.128372192383 694732.190429688 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3265 175.107643127441 98712.125 14.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3266 183.112533569336 5188.830078125 0.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3267 185.092224121094 11217.31640625 1.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3268 187.144203186035 13531.6088867188 1.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3269 201.123428344727 75863.087890625 10.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3270 203.102951049805 40584.607421875 5.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3271 207.097984313965 13394.4077148438 1.93
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3272 219.133766174316 27715.28515625 3.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3273 224.080978393555 4571.36254882812 0.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3274 258.145965576172 26688.8759765625 3.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3275 302.170928955078 15033.4965820312 2.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3276
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3277 RECORD_TITLE: MZ:323.0385 \| RT:83.4 \| grpid:423 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3278 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038522617119
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3279 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3280 XCMS groupid (grpid): 423
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3281 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3282 PK$NUM_PEAK: 1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3283 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3284 323.039337158203 9602.89892578125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3285
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3286 RECORD_TITLE: MZ:323.0385 \| RT:83.4 \| grpid:423 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3287 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038522617119
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3288 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3289 XCMS groupid (grpid): 423
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3290 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3291 PK$NUM_PEAK: 1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3292 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3293 323.039337158203 9602.89892578125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3294
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3295 RECORD_TITLE: MZ:326.1474 \| RT:97.7 \| grpid:429 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3296 MS$FOCUSED_ION: PRECURSOR_M/Z 326.147406045903
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3297 AC$CHROMATOGRAPHY: RETENTION_TIME 97.724058
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3298 XCMS groupid (grpid): 429
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3299 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3300 PK$NUM_PEAK: 8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3301 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3302 110.071594238281 18136.025390625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3303 111.771446228027 2785.8037109375 15.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3304 117.990272521973 2784.25244140625 15.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3305 156.076690673828 14272.5439453125 78.7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3306 165.825180053711 2898.11499023438 15.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3307 202.852157592773 3820.03295898438 21.06
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3308 255.132080078125 4374.06005859375 24.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3309 309.125244140625 6484.82861328125 35.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3310
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3311 RECORD_TITLE: MZ:326.1474 \| RT:97.7 \| grpid:429 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3312 MS$FOCUSED_ION: PRECURSOR_M/Z 326.147406045903
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3313 AC$CHROMATOGRAPHY: RETENTION_TIME 97.724058
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3314 XCMS groupid (grpid): 429
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3315 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3316 PK$NUM_PEAK: 8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3317 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3318 110.071594238281 18136.025390625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3319 111.771446228027 2785.8037109375 15.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3320 117.990272521973 2784.25244140625 15.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3321 156.076690673828 14272.5439453125 78.7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3322 165.825180053711 2898.11499023438 15.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3323 202.852157592773 3820.03295898438 21.06
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3324 255.132080078125 4374.06005859375 24.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3325 309.125244140625 6484.82861328125 35.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3326
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3327 RECORD_TITLE: MZ:332.1813 \| RT:65.9 \| grpid:443 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3328 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181334574007
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3329 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3330 XCMS groupid (grpid): 443
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3331 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3332 PK$NUM_PEAK: 3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3333 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3334 102.05542755127 26123.17578125 50.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3335 157.133659362793 51649.9677734375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3336 233.113418579102 43267.4111328125 83.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3337
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3338 RECORD_TITLE: MZ:332.1813 \| RT:65.9 \| grpid:443 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3339 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181334574007
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3340 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3341 XCMS groupid (grpid): 443
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3342 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3343 PK$NUM_PEAK: 3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3344 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3345 102.05542755127 26123.17578125 50.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3346 157.133659362793 51649.9677734375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3347 233.113418579102 43267.4111328125 83.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3348
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3349 RECORD_TITLE: MZ:334.1384 \| RT:121.6 \| grpid:450 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3350 MS$FOCUSED_ION: PRECURSOR_M/Z 334.138365714283
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3351 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3352 XCMS groupid (grpid): 450
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3353 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3354 PK$NUM_PEAK: 18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3355 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3356 102.055393218994 28924.8486328125 15.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3357 115.054626464844 5557.07958984375 2.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3358 117.057487487793 6078.82861328125 3.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3359 130.05005645752 4868.30004882812 2.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3360 130.065124511719 96286.6640625 51.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3361 132.081016540527 81510.7309570312 43.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3362 142.065338134766 23379.9931640625 12.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3363 144.080947875977 76872.9123535156 40.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3364 159.091697692871 188204.9296875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3365 160.075492858887 27109.7802734375 14.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3366 160.094924926758 11488.8818359375 6.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3367 170.059936523438 126897.40625 67.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3368 185.055725097656 4065.85803222656 2.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3369 187.143844604492 3390.4921875 1.8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3370 188.070938110352 5657.86596679688 3.01
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3371 290.107940673828 6866.68310546875 3.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3372 299.102325439453 15749.515625 8.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3373 317.112945556641 71396.86328125 37.94
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3374
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3375 RECORD_TITLE: MZ:334.1384 \| RT:121.6 \| grpid:450 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3376 MS$FOCUSED_ION: PRECURSOR_M/Z 334.138365714283
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3377 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3378 XCMS groupid (grpid): 450
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3379 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3380 PK$NUM_PEAK: 18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3381 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3382 102.055393218994 28924.8486328125 15.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3383 115.054626464844 5557.07958984375 2.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3384 117.057487487793 6078.82861328125 3.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3385 130.05005645752 4868.30004882812 2.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3386 130.065124511719 96286.6640625 51.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3387 132.081016540527 81510.7309570312 43.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3388 142.065338134766 23379.9931640625 12.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3389 144.080947875977 76872.9123535156 40.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3390 159.091697692871 188204.9296875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3391 160.075492858887 27109.7802734375 14.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3392 160.094924926758 11488.8818359375 6.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3393 170.059936523438 126897.40625 67.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3394 185.055725097656 4065.85803222656 2.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3395 187.143844604492 3390.4921875 1.8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3396 188.070938110352 5657.86596679688 3.01
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3397 290.107940673828 6866.68310546875 3.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3398 299.102325439453 15749.515625 8.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3399 317.112945556641 71396.86328125 37.94
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3400
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3401 RECORD_TITLE: MZ:335.0717 \| RT:37.1 \| grpid:451 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3402 MS$FOCUSED_ION: PRECURSOR_M/Z 335.071702758472
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3403 AC$CHROMATOGRAPHY: RETENTION_TIME 37.1197878
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3404 XCMS groupid (grpid): 451
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3405 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3406 PK$NUM_PEAK: 23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3407 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3408 109.028854370117 77211.3671875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3409 112.417579650879 2861.51879882812 3.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3410 116.994819641113 14928.2919921875 19.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3411 120.833572387695 2670.53662109375 3.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3412 124.93717956543 4491.90380859375 5.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3413 127.038955688477 18605.169921875 24.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3414 140.010711669922 17025.10546875 22.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3415 142.948211669922 6705.46044921875 8.68
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3417 162.45671081543 3080.2978515625 3.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3418 163.060287475586 22311.455078125 28.9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3419 164.930374145508 42782.25390625 55.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3420 173.020812988281 63736.734375 82.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3421 178.944793701172 22036.150390625 28.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3422 215.009567260742 14709.431640625 19.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3423 218.967132568359 51529.28515625 66.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3424 236.957992553711 29484.544921875 38.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3425 244.980163574219 4468.62158203125 5.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3426 261.036590576172 47865.4765625 61.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3427 273.154998779297 3246.16064453125 4.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3428 276.924835205078 5296.65771484375 6.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3429 316.950531005859 7445.36279296875 9.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3430 335.071899414062 3603.01391601562 4.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3431
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3432 RECORD_TITLE: MZ:335.0717 \| RT:37.1 \| grpid:451 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3433 MS$FOCUSED_ION: PRECURSOR_M/Z 335.071702758472
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3434 AC$CHROMATOGRAPHY: RETENTION_TIME 37.1197878
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3435 XCMS groupid (grpid): 451
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3436 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3437 PK$NUM_PEAK: 23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3438 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3439 109.028854370117 77211.3671875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3440 112.417579650879 2861.51879882812 3.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3441 116.994819641113 14928.2919921875 19.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3442 120.833572387695 2670.53662109375 3.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3443 124.93717956543 4491.90380859375 5.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3444 127.038955688477 18605.169921875 24.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3445 140.010711669922 17025.10546875 22.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3446 142.948211669922 6705.46044921875 8.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3447 145.049789428711 6557.4921875 8.49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3448 162.45671081543 3080.2978515625 3.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3449 163.060287475586 22311.455078125 28.9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3450 164.930374145508 42782.25390625 55.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3451 173.020812988281 63736.734375 82.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3452 178.944793701172 22036.150390625 28.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3453 215.009567260742 14709.431640625 19.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3454 218.967132568359 51529.28515625 66.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3455 236.957992553711 29484.544921875 38.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3456 244.980163574219 4468.62158203125 5.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3457 261.036590576172 47865.4765625 61.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3458 273.154998779297 3246.16064453125 4.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3459 276.924835205078 5296.65771484375 6.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3460 316.950531005859 7445.36279296875 9.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3461 335.071899414062 3603.01391601562 4.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3462
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3463 RECORD_TITLE: MZ:347.1919 \| RT:78 \| grpid:479 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3464 MS$FOCUSED_ION: PRECURSOR_M/Z 347.191936720949
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3465 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3466 XCMS groupid (grpid): 479
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3467 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3468 PK$NUM_PEAK: 27
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3469 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3470 101.071472167969 40989.35546875 16.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3471 102.055446624756 14464.6982421875 5.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3472 106.050281524658 80382.76171875 32.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3473 120.065902709961 40173.86328125 16.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3474 129.066017150879 38798.3251953125 15.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3475 129.102531433105 6366.61889648438 2.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3476 130.050018310547 20780.3076171875 8.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3477 131.117980957031 47030.1105957031 18.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3478 133.060852050781 12427.3515625 4.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3479 136.06169128418 84242.04296875 33.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3480 138.091377258301 18406.2822265625 7.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3481 147.076324462891 25436.30859375 10.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3482 169.133491516113 34432.833984375 13.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3483 173.128471374512 11148.4367675781 4.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3484 183.112915039062 33628.2265625 13.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3485 187.144172668457 29905.9438476562 11.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3486 196.144470214844 249633.48046875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3487 197.128395080566 209243.3671875 83.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3488 199.071243286133 18248.08203125 7.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3489 200.139266967773 21929.404296875 8.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3490 214.154937744141 81418.5380859375 32.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3491 216.097778320312 94867.9609375 38
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3496 329.181365966797 16518.06640625 6.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3497
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3498 RECORD_TITLE: MZ:347.1919 \| RT:78 \| grpid:479 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3499 MS$FOCUSED_ION: PRECURSOR_M/Z 347.191936720949
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3500 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3501 XCMS groupid (grpid): 479
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3502 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3503 PK$NUM_PEAK: 27
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3504 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3505 101.071472167969 40989.35546875 16.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3506 102.055446624756 14464.6982421875 5.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3507 106.050281524658 80382.76171875 32.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3508 120.065902709961 40173.86328125 16.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3509 129.066017150879 38798.3251953125 15.54
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3512 131.117980957031 47030.1105957031 18.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3513 133.060852050781 12427.3515625 4.98
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3515 138.091377258301 18406.2822265625 7.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3516 147.076324462891 25436.30859375 10.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3517 169.133491516113 34432.833984375 13.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3518 173.128471374512 11148.4367675781 4.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3519 183.112915039062 33628.2265625 13.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3520 187.144172668457 29905.9438476562 11.98
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3529 228.134292602539 7546.26806640625 3.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3530 234.108322143555 24262.263671875 9.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3531 329.181365966797 16518.06640625 6.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3532
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3533 RECORD_TITLE: MZ:352.0633 \| RT:112 \| grpid:488 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3534 MS$FOCUSED_ION: PRECURSOR_M/Z 352.063275879513
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3535 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3536 XCMS groupid (grpid): 488
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3537 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3538 PK$NUM_PEAK: 22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3539 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3540 102.055809020996 3488.69775390625 0.63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3541 105.00089263916 16334.1181640625 2.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3542 105.978267669678 15953.0170898438 2.88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3543 117.996109008789 6811.37060546875 1.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3544 120.081089019775 12795.6015625 2.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3545 122.027233123779 553120.8125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3546 130.050003051758 84061.3359375 15.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3547 131.994018554688 4202.173828125 0.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3548 153.06568145752 19282.65625 3.49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3549 155.081420898438 13185.5791015625 2.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3550 159.02214050293 4183.79833984375 0.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3551 177.999046325684 83820.31640625 15.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3552 181.060920715332 10014.1801757812 1.81
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3553 185.037872314453 57737.03515625 10.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3554 195.025619506836 156542.8203125 28.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3555 199.071296691895 32353.5556640625 5.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3556 205.994338989258 13034.6630859375 2.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3557 223.02042388916 75684.09375 13.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3558 231.043304443359 212588.828125 38.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3559 289.0302734375 27259.474609375 4.93
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3560 289.031494140625 22851.3984375 4.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3561 335.035797119141 6442.3271484375 1.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3562
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3563 RECORD_TITLE: MZ:352.0633 \| RT:112 \| grpid:488 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3564 MS$FOCUSED_ION: PRECURSOR_M/Z 352.063275879513
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3565 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3566 XCMS groupid (grpid): 488
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3567 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3568 PK$NUM_PEAK: 22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3569 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3570 102.055809020996 3488.69775390625 0.63
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3571 105.00089263916 16334.1181640625 2.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3572 105.978267669678 15953.0170898438 2.88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3573 117.996109008789 6811.37060546875 1.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3574 120.081089019775 12795.6015625 2.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3575 122.027233123779 553120.8125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3576 130.050003051758 84061.3359375 15.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3577 131.994018554688 4202.173828125 0.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3578 153.06568145752 19282.65625 3.49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3579 155.081420898438 13185.5791015625 2.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3580 159.02214050293 4183.79833984375 0.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3581 177.999046325684 83820.31640625 15.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3582 181.060920715332 10014.1801757812 1.81
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3583 185.037872314453 57737.03515625 10.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3584 195.025619506836 156542.8203125 28.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3585 199.071296691895 32353.5556640625 5.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3586 205.994338989258 13034.6630859375 2.36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3587 223.02042388916 75684.09375 13.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3588 231.043304443359 212588.828125 38.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3589 289.0302734375 27259.474609375 4.93
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3590 289.031494140625 22851.3984375 4.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3591 335.035797119141 6442.3271484375 1.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3592
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3593 RECORD_TITLE: MZ:361.1381 \| RT:70.6 \| grpid:513 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3594 MS$FOCUSED_ION: PRECURSOR_M/Z 361.138129803043
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3595 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3596 XCMS groupid (grpid): 513
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3597 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3598 PK$NUM_PEAK: 85
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3614 141.102188110352 37979.31640625 14.64
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3780 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191525584631
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3783 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3814
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3815 RECORD_TITLE: MZ:362.1915 \| RT:64.4 \| grpid:515 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3816 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191525584631
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3817 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3818 XCMS groupid (grpid): 515
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3819 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3820 PK$NUM_PEAK: 28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3821 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3822 101.071460723877 22447.7890625 9.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3823 102.055389404297 124352.671875 54.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3824 102.202476501465 3083.99609375 1.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3825 112.222114562988 3042.80590820312 1.33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3826 116.071235656738 6828.22705078125 2.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3827 120.06575012207 122754.9296875 53.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3828 130.049751281738 29039.6904296875 12.7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3829 140.07054901123 11533.4318847656 5.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3830 142.122718811035 10574.3703613281 4.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3831 143.118179321289 3994.87170410156 1.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3832 148.060852050781 4624.80590820312 2.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3833 152.107116699219 3751.466796875 1.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3834 154.849838256836 3004.14819335938 1.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3835 169.06022644043 4621.54443359375 2.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3836 170.118118286133 7709.37158203125 3.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3837 185.092147827148 11393.6999511719 4.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3838 187.144096374512 105053.1640625 45.94
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3839 197.129096984863 10520.5854492188 4.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3840 202.127166748047 4503.88134765625 1.97
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3841 213.086868286133 78922.734375 34.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3842 215.138969421387 228697.65625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3843 231.097595214844 136025.984375 59.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3844 231.119110107422 6252.3779296875 2.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3845 231.143371582031 3239.9208984375 1.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3846 238.79475402832 3672.62524414062 1.61
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3847 242.328903198242 3181.13891601562 1.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3848 243.1337890625 47365.04296875 20.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3849 249.107627868652 8284.73291015625 3.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3850
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3851 RECORD_TITLE: MZ:363.1562 \| RT:69.7 \| grpid:518 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3852 MS$FOCUSED_ION: PRECURSOR_M/Z 363.156167686281
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3853 AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3854 XCMS groupid (grpid): 518
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3855 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3856 PK$NUM_PEAK: 20
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3857 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3858 100.313407897949 6955.587890625 2.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3859 103.620452880859 5906.43359375 1.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3860 119.049404144287 67519.607421875 21.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3861 120.495223999023 7355.00341796875 2.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3862 123.0442237854 108176.8671875 34.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3863 124.589881896973 6751.685546875 2.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3864 136.075706481934 309278.046875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3865 147.044059753418 50436.212890625 16.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3866 152.85009765625 7171.017578125 2.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3867 160.325393676758 6112.95458984375 1.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3868 165.054527282715 239925.640625 77.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3869 182.081161499023 135656.0546875 43.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3870 215.139312744141 8024.45361328125 2.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3871 216.112907409668 12928.3149414062 4.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3872 216.143112182617 8893.7724609375 2.88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3873 246.316207885742 5869.61962890625 1.9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3874 253.381652832031 6271.06396484375 2.03
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3875 351.907806396484 7833.08203125 2.53
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3876 353.493469238281 6891.98046875 2.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3877 362.615264892578 7317.9599609375 2.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3878
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3879 RECORD_TITLE: MZ:363.1562 \| RT:69.7 \| grpid:518 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3880 MS$FOCUSED_ION: PRECURSOR_M/Z 363.156167686281
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3881 AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3882 XCMS groupid (grpid): 518
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3883 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3884 PK$NUM_PEAK: 20
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3885 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3886 100.313407897949 6955.587890625 2.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3887 103.620452880859 5906.43359375 1.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3888 119.049404144287 67519.607421875 21.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3889 120.495223999023 7355.00341796875 2.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3890 123.0442237854 108176.8671875 34.98
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3892 136.075706481934 309278.046875 100
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3904 353.493469238281 6891.98046875 2.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3905 362.615264892578 7317.9599609375 2.37
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3907 RECORD_TITLE: MZ:369.1509 \| RT:118.6 \| grpid:537 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3908 MS$FOCUSED_ION: PRECURSOR_M/Z 369.150928816373
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3909 AC$CHROMATOGRAPHY: RETENTION_TIME 118.583076
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3910 XCMS groupid (grpid): 537
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3911 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3912 PK$NUM_PEAK: 5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3913 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3914 113.532424926758 3462.68896484375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3915 117.139762878418 3111.56518554688 89.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3916 141.411041259766 2775.10424804688 80.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3917 159.579620361328 2853.40112304688 82.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3918 165.934677124023 2729.99926757812 78.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3919
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3920 RECORD_TITLE: MZ:369.1509 \| RT:118.6 \| grpid:537 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3921 MS$FOCUSED_ION: PRECURSOR_M/Z 369.150928816373
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3922 AC$CHROMATOGRAPHY: RETENTION_TIME 118.583076
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3923 XCMS groupid (grpid): 537
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3924 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3925 PK$NUM_PEAK: 5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3926 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3927 113.532424926758 3462.68896484375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3928 117.139762878418 3111.56518554688 89.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3929 141.411041259766 2775.10424804688 80.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3930 159.579620361328 2853.40112304688 82.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3931 165.934677124023 2729.99926757812 78.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3932
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3933 RECORD_TITLE: MZ:375.1875 \| RT:51.4 \| grpid:551 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3934 MS$FOCUSED_ION: PRECURSOR_M/Z 375.187492298947
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3935 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3936 XCMS groupid (grpid): 551
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3937 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3938 PK$NUM_PEAK: 17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3939 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3940 101.071418762207 13405.0166015625 20.94
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3941 102.055389404297 19491.09765625 30.45
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3942 129.066070556641 7568.572265625 11.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3943 129.102325439453 13277.869140625 20.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3944 130.049949645996 64014.865234375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3945 133.060836791992 14907.283203125 23.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3946 134.044883728027 8920.19677734375 13.93
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3947 138.09130859375 3732.62670898438 5.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3948 141.102401733398 13211.5419921875 20.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3949 147.076400756836 52952.89453125 82.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3950 148.060424804688 4422.49047851562 6.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3951 183.113243103027 9372.2578125 14.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3952 196.144485473633 17163.5512695312 26.81
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3953 197.12858581543 21672.10546875 33.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3954 200.139236450195 11779.333984375 18.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3955 201.123420715332 28117.728515625 43.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3956 229.118255615234 7021.28491210938 10.97
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3957
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3958 RECORD_TITLE: MZ:375.1875 \| RT:51.4 \| grpid:551 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3959 MS$FOCUSED_ION: PRECURSOR_M/Z 375.187492298947
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3960 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3961 XCMS groupid (grpid): 551
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3962 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3963 PK$NUM_PEAK: 17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3964 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3965 101.071418762207 13405.0166015625 20.94
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3966 102.055389404297 19491.09765625 30.45
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3967 129.066070556641 7568.572265625 11.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3968 129.102325439453 13277.869140625 20.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3969 130.049949645996 64014.865234375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3970 133.060836791992 14907.283203125 23.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3971 134.044883728027 8920.19677734375 13.93
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3972 138.09130859375 3732.62670898438 5.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3973 141.102401733398 13211.5419921875 20.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3974 147.076400756836 52952.89453125 82.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3975 148.060424804688 4422.49047851562 6.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3976 183.113243103027 9372.2578125 14.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3977 196.144485473633 17163.5512695312 26.81
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3978 197.12858581543 21672.10546875 33.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3979 200.139236450195 11779.333984375 18.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3980 201.123420715332 28117.728515625 43.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3981 229.118255615234 7021.28491210938 10.97
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3982
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3983 RECORD_TITLE: MZ:394.1621 \| RT:112 \| grpid:596 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3984 MS$FOCUSED_ION: PRECURSOR_M/Z 394.162103579203
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3985 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3986 XCMS groupid (grpid): 596
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3987 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3988 PK$NUM_PEAK: 29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3989 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3990 102.766708374023 3929.609375 7.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3991 117.806762695312 3366.19604492188 6.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3992 118.686012268066 3622.3388671875 6.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3993 123.743171691895 3217.89379882812 6.14
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3995 128.317962646484 2899.56469726562 5.53
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	3999 151.377349853516 3015.4287109375 5.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4000 155.045272827148 3647.17114257812 6.96
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4001 165.054244995117 5754.60986328125 10.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4002 167.081008911133 6179.26220703125 11.8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4003 167.082138061523 5944.7177734375 11.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4004 175.066543579102 3524.22631835938 6.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4005 182.081329345703 4438.41357421875 8.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4006 185.092002868652 52388.046875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4007 196.059860229492 4624.06640625 8.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4008 196.061447143555 4606.38916015625 8.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4009 211.785034179688 3312.98022460938 6.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4010 213.086883544922 6513.75048828125 12.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4011 243.112808227539 6943.72216796875 13.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4012 243.903228759766 3231.54345703125 6.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4013 279.134262084961 20368.2421875 38.88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4014 317.111999511719 7535.61669921875 14.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4015 317.114227294922 13560.7890625 25.89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4016 359.123138427734 5193.3125 9.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4017 359.126098632812 3799.70556640625 7.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4018 394.346771240234 3509.42309570312 6.7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4019
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4020 RECORD_TITLE: MZ:394.1621 \| RT:112 \| grpid:596 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4021 MS$FOCUSED_ION: PRECURSOR_M/Z 394.162103579203
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4022 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4023 XCMS groupid (grpid): 596
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4024 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4025 PK$NUM_PEAK: 29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4026 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4027 102.766708374023 3929.609375 7.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4028 117.806762695312 3366.19604492188 6.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4029 118.686012268066 3622.3388671875 6.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4030 123.743171691895 3217.89379882812 6.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4031 125.071136474609 12022.4211425781 22.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4032 128.317962646484 2899.56469726562 5.53
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4033 136.075866699219 23457.38671875 44.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4034 142.836349487305 3245.5166015625 6.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4035 147.454162597656 3399.47290039062 6.49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4036 151.377349853516 3015.4287109375 5.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4037 155.045272827148 3647.17114257812 6.96
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4038 165.054244995117 5754.60986328125 10.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4039 167.081008911133 6179.26220703125 11.8
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4040 167.082138061523 5944.7177734375 11.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4041 175.066543579102 3524.22631835938 6.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4042 182.081329345703 4438.41357421875 8.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4043 185.092002868652 52388.046875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4044 196.059860229492 4624.06640625 8.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4045 196.061447143555 4606.38916015625 8.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4046 211.785034179688 3312.98022460938 6.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4047 213.086883544922 6513.75048828125 12.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4048 243.112808227539 6943.72216796875 13.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4049 243.903228759766 3231.54345703125 6.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4050 279.134262084961 20368.2421875 38.88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4051 317.111999511719 7535.61669921875 14.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4052 317.114227294922 13560.7890625 25.89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4053 359.123138427734 5193.3125 9.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4054 359.126098632812 3799.70556640625 7.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4055 394.346771240234 3509.42309570312 6.7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4056
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4057 RECORD_TITLE: MZ:401.0617 \| RT:34 \| grpid:612 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4058 MS$FOCUSED_ION: PRECURSOR_M/Z 401.061711739436
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4059 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4060 XCMS groupid (grpid): 612
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4061 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4062 PK$NUM_PEAK: 21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4063 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4064 100.988891601562 43947.080078125 1.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4065 116.995010375977 136892.984375 3.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4066 124.999862670898 51841.46484375 1.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4067 136.999862670898 251506.359375 5.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4068 140.010749816895 95939.6484375 2.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4069 155.01033782959 4206829.6328125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4070 156.013954162598 17596.9311523438 0.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4071 157.014739990234 87486.65625 2.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4072 173.020874023438 343220.576416016 8.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4073 175.025650024414 10171.7297363281 0.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4074 178.950508117676 33158.3759765625 0.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4075 196.037071228027 49913.736328125 1.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4076 211.036468505859 265916.063476562 6.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4077 216.965675354004 142565.0078125 3.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4078 229.04704284668 499441.21875 11.87
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4079 231.051681518555 5354.7197265625 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4080 234.9765625 620313.9375 14.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4081 236.981048583984 5037.50830078125 0.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4082 247.057487487793 131127.1796875 3.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4083 291.002975463867 203816.6875 4.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4084 309.013046264648 24559.9672851562 0.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4085
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4086 RECORD_TITLE: MZ:401.0617 \| RT:34 \| grpid:612 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4087 MS$FOCUSED_ION: PRECURSOR_M/Z 401.061711739436
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4088 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4089 XCMS groupid (grpid): 612
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4090 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4091 PK$NUM_PEAK: 21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4092 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4093 100.988891601562 43947.080078125 1.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4094 116.995010375977 136892.984375 3.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4095 124.999862670898 51841.46484375 1.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4096 136.999862670898 251506.359375 5.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4097 140.010749816895 95939.6484375 2.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4098 155.01033782959 4206829.6328125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4099 156.013954162598 17596.9311523438 0.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4100 157.014739990234 87486.65625 2.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4101 173.020874023438 343220.576416016 8.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4102 175.025650024414 10171.7297363281 0.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4103 178.950508117676 33158.3759765625 0.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4104 196.037071228027 49913.736328125 1.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4105 211.036468505859 265916.063476562 6.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4106 216.965675354004 142565.0078125 3.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4107 229.04704284668 499441.21875 11.87
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4108 231.051681518555 5354.7197265625 0.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4109 234.9765625 620313.9375 14.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4110 236.981048583984 5037.50830078125 0.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4111 247.057487487793 131127.1796875 3.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4112 291.002975463867 203816.6875 4.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4113 309.013046264648 24559.9672851562 0.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4114
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4115 RECORD_TITLE: MZ:404.1419 \| RT:126.2 \| grpid:618 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4116 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141901772703
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4117 AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4118 XCMS groupid (grpid): 618
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4119 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4120 PK$NUM_PEAK: 12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4121 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4122 136.051010131836 4214.84375 1.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4123 136.061767578125 170576.3046875 64.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4124 137.045783996582 265340.859375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4125 149.350723266602 2960.25122070312 1.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4126 152.028915405273 3706.61962890625 1.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4127 155.559341430664 3138.55590820312 1.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4128 176.857574462891 3244.943359375 1.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4129 191.558868408203 3635.75805664062 1.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4130 207.745498657227 2866.4462890625 1.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4131 215.409362792969 3903.9443359375 1.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4132 254.295944213867 4236.8359375 1.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4133 305.455352783203 3670.34033203125 1.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4134
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4135 RECORD_TITLE: MZ:404.1419 \| RT:126.2 \| grpid:618 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4136 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141901772703
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4137 AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4138 XCMS groupid (grpid): 618
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4139 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4140 PK$NUM_PEAK: 12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4141 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4142 136.051010131836 4214.84375 1.59
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4143 136.061767578125 170576.3046875 64.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4144 137.045783996582 265340.859375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4145 149.350723266602 2960.25122070312 1.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4146 152.028915405273 3706.61962890625 1.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4147 155.559341430664 3138.55590820312 1.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4148 176.857574462891 3244.943359375 1.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4149 191.558868408203 3635.75805664062 1.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4150 207.745498657227 2866.4462890625 1.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4151 215.409362792969 3903.9443359375 1.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4152 254.295944213867 4236.8359375 1.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4153 305.455352783203 3670.34033203125 1.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4154
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4155 RECORD_TITLE: MZ:407.2046 \| RT:72.2 \| grpid:625 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4156 MS$FOCUSED_ION: PRECURSOR_M/Z 407.204554471595
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4157 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4158 XCMS groupid (grpid): 625
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4159 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4160 PK$NUM_PEAK: 31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4161 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4162 102.055419921875 29241.109375 5.9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4163 104.053215026855 36839.7578125 7.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4164 109.02864074707 18452.52734375 3.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4165 111.270988464355 3561.50805664062 0.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4166 116.052536010742 3233.939453125 0.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4167 116.070777893066 13699.947265625 2.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4168 126.055152893066 96099.703125 19.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4169 127.451728820801 3604.42553710938 0.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4170 130.050262451172 4331.92431640625 0.87
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4171 132.102096557617 40127.29296875 8.1
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4173 143.08235168457 5169.75390625 1.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4174 144.0654296875 110722.25 22.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4175 144.076126098633 5807.7001953125 1.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4176 159.075912475586 12614.484375 2.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4177 161.074722290039 4780.4208984375 0.96
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4178 163.027908325195 3617.16259765625 0.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4179 168.065414428711 104829.1171875 21.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4180 171.076583862305 7918.15283203125 1.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4181 173.12809753418 6250.19384765625 1.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4182 179.168167114258 3541.37573242188 0.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4183 186.075805664062 92374.96875 18.65
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4186 189.086181640625 6041.65234375 1.22
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4188 270.140502929688 3485.42749023438 0.7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4189 276.108459472656 36373.86328125 7.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4190 293.534423828125 3759.82836914062 0.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4191 302.942840576172 3783.8955078125 0.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4192 344.885498046875 3337.09936523438 0.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4193
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4194 RECORD_TITLE: MZ:407.2046 \| RT:72.2 \| grpid:625 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4195 MS$FOCUSED_ION: PRECURSOR_M/Z 407.204554471595
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4196 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4197 XCMS groupid (grpid): 625
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4198 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4199 PK$NUM_PEAK: 31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4200 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4201 102.055419921875 29241.109375 5.9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4202 104.053215026855 36839.7578125 7.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4203 109.02864074707 18452.52734375 3.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4204 111.270988464355 3561.50805664062 0.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4205 116.052536010742 3233.939453125 0.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4206 116.070777893066 13699.947265625 2.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4207 126.055152893066 96099.703125 19.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4208 127.451728820801 3604.42553710938 0.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4209 130.050262451172 4331.92431640625 0.87
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4210 132.102096557617 40127.29296875 8.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4211 138.054977416992 495429.3125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4212 143.08235168457 5169.75390625 1.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4213 144.0654296875 110722.25 22.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4214 144.076126098633 5807.7001953125 1.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4215 159.075912475586 12614.484375 2.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4216 161.074722290039 4780.4208984375 0.96
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4217 163.027908325195 3617.16259765625 0.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4218 168.065414428711 104829.1171875 21.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4219 171.076583862305 7918.15283203125 1.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4220 173.12809753418 6250.19384765625 1.26
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4221 179.168167114258 3541.37573242188 0.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4222 186.075805664062 92374.96875 18.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4223 187.071105957031 19836.36328125 4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4224 189.06901550293 20552.5390625 4.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4225 189.086181640625 6041.65234375 1.22
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4226 201.086990356445 23055.71875 4.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4227 270.140502929688 3485.42749023438 0.7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4228 276.108459472656 36373.86328125 7.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4229 293.534423828125 3759.82836914062 0.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4230 302.942840576172 3783.8955078125 0.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4231 344.885498046875 3337.09936523438 0.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4232
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4233 RECORD_TITLE: MZ:414.2346 \| RT:113.6 \| grpid:641 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4234 MS$FOCUSED_ION: PRECURSOR_M/Z 414.234577223874
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4235 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4236 XCMS groupid (grpid): 641
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4237 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4238 PK$NUM_PEAK: 11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4239 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4240 101.072120666504 3460.662109375 2.89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4241 130.050003051758 23700.412109375 19.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4242 143.118316650391 6467.0634765625 5.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4243 147.076400756836 57435.73046875 47.89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4244 171.114654541016 3607.89379882812 3.01
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4245 187.107620239258 12488.6435546875 10.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4246 212.347091674805 2953.01245117188 2.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4247 227.102462768555 13762.5078125 11.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4248 244.129257202148 119940.1875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4249 291.886047363281 3740.046875 3.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4250 299.767974853516 4064.77465820312 3.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4251
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4252 RECORD_TITLE: MZ:414.2346 \| RT:113.6 \| grpid:641 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4253 MS$FOCUSED_ION: PRECURSOR_M/Z 414.234577223874
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4254 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4255 XCMS groupid (grpid): 641
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4256 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4257 PK$NUM_PEAK: 11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4258 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4259 101.072120666504 3460.662109375 2.89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4260 130.050003051758 23700.412109375 19.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4261 143.118316650391 6467.0634765625 5.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4262 147.076400756836 57435.73046875 47.89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4263 171.114654541016 3607.89379882812 3.01
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4264 187.107620239258 12488.6435546875 10.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4265 212.347091674805 2953.01245117188 2.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4266 227.102462768555 13762.5078125 11.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4267 244.129257202148 119940.1875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4268 291.886047363281 3740.046875 3.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4269 299.767974853516 4064.77465820312 3.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4270
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4271 RECORD_TITLE: MZ:417.2097 \| RT:77.5 \| grpid:651 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4272 MS$FOCUSED_ION: PRECURSOR_M/Z 417.20974572592
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4273 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4274 XCMS groupid (grpid): 651
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4275 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4276 PK$NUM_PEAK: 50
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4277 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4278 101.071632385254 21183.01171875 8.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4279 110.024345397949 4356.50732421875 1.81
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4280 115.050491333008 95092.8828125 39.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4281 115.058029174805 5113.0302734375 2.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4282 125.035163879395 3798.44970703125 1.58
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4283 128.03466796875 7057.6240234375 2.93
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4284 129.066192626953 14344.888671875 5.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4285 132.076797485352 241117.15625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4286 136.039596557617 19952.20703125 8.27
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4287 138.091293334961 7483.42236328125 3.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4288 139.050628662109 14222.2255859375 5.9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4289 139.131530761719 3395.9853515625 1.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4290 153.06575012207 6803.0126953125 2.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4291 156.076614379883 6305.38037109375 2.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4292 164.034301757812 8484.1953125 3.52
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4293 167.044952392578 8397.5390625 3.48
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4329 RECORD_TITLE: MZ:417.2097 \| RT:77.5 \| grpid:651 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4330 MS$FOCUSED_ION: PRECURSOR_M/Z 417.20974572592
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4332 XCMS groupid (grpid): 651
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4333 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4334 PK$NUM_PEAK: 50
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4384 372.336669921875 3619.55493164062 1.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4385 382.172210693359 4940.5458984375 2.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4386
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4387 RECORD_TITLE: MZ:422.2455 \| RT:77.3 \| grpid:661 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4388 MS$FOCUSED_ION: PRECURSOR_M/Z 422.245503008018
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4389 AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4390 XCMS groupid (grpid): 661
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4391 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4392 PK$NUM_PEAK: 19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4393 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4394 102.055618286133 3558.69995117188 16.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4395 120.080558776855 4530.3798828125 21.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4396 120.081420898438 3910.62768554688 18.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4397 132.102210998535 3878.61560058594 18.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4398 139.996002197266 3161.169921875 14.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4399 152.552886962891 3656.74609375 17.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4400 164.107551574707 5284.36694335938 24.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4401 169.504211425781 3314.57250976562 15.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4402 174.759521484375 3360.31762695312 15.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4403 230.140182495117 3358.00244140625 15.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4404 241.255187988281 3994.02172851562 18.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4405 243.135665893555 3991.35827636719 18.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4406 244.20588684082 3930.2548828125 18.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4407 267.45654296875 4267.03759765625 19.96
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4408 339.154739379883 21379.2734375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4409 387.176788330078 4423.681640625 20.69
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4410 404.268035888672 3815.27880859375 17.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4411 438.548736572266 3631.70874023438 16.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4412 442.898986816406 3885.36962890625 18.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4413
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4414 RECORD_TITLE: MZ:422.2455 \| RT:77.3 \| grpid:661 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4415 MS$FOCUSED_ION: PRECURSOR_M/Z 422.245503008018
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4416 AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4417 XCMS groupid (grpid): 661
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4418 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4419 PK$NUM_PEAK: 19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4420 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4421 102.055618286133 3558.69995117188 16.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4422 120.080558776855 4530.3798828125 21.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4423 120.081420898438 3910.62768554688 18.29
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4424 132.102210998535 3878.61560058594 18.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4425 139.996002197266 3161.169921875 14.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4426 152.552886962891 3656.74609375 17.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4427 164.107551574707 5284.36694335938 24.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4428 169.504211425781 3314.57250976562 15.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4429 174.759521484375 3360.31762695312 15.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4430 230.140182495117 3358.00244140625 15.71
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4431 241.255187988281 3994.02172851562 18.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4432 243.135665893555 3991.35827636719 18.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4433 244.20588684082 3930.2548828125 18.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4434 267.45654296875 4267.03759765625 19.96
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4435 339.154739379883 21379.2734375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4436 387.176788330078 4423.681640625 20.69
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4437 404.268035888672 3815.27880859375 17.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4438 438.548736572266 3631.70874023438 16.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4439 442.898986816406 3885.36962890625 18.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4440
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4441 RECORD_TITLE: MZ:423.1908 \| RT:84.2 \| grpid:664 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4442 MS$FOCUSED_ION: PRECURSOR_M/Z 423.190755443941
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4443 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4444 XCMS groupid (grpid): 664
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4445 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4446 PK$NUM_PEAK: 25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4447 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4448 101.071411132812 46732.83203125 5.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4449 102.055374145508 88983.625 9.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4450 103.054443359375 24983.80859375 2.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4451 105.530052185059 3419.52978515625 0.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4452 110.183616638184 3628.88647460938 0.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4453 120.081016540527 905217.25 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4454 129.066268920898 31941.962890625 3.53
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4455 130.049987792969 396376.3125 43.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4456 131.049407958984 5914.91162109375 0.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4457 147.076416015625 280807.375 31.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4458 172.265274047852 3955.26342773438 0.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4459 186.091079711914 48435.109375 5.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4460 195.076812744141 14915.5986328125 1.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4461 204.101287841797 5574.19091796875 0.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4462 206.006805419922 3512.30712890625 0.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4463 213.086929321289 7143.0380859375 0.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4464 223.071517944336 24099.07421875 2.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4465 231.111724853516 4500.54296875 0.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4466 240.097366333008 25176.005859375 2.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4467 241.081497192383 67114.1484375 7.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4468 249.123306274414 153377.234375 16.94
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4469 258.108184814453 74684.1171875 8.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4470 276.116180419922 4201.1201171875 0.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4471 277.118377685547 22414.9140625 2.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4472 410.809265136719 3803.65478515625 0.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4473
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4474 RECORD_TITLE: MZ:423.1908 \| RT:84.2 \| grpid:664 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4475 MS$FOCUSED_ION: PRECURSOR_M/Z 423.190755443941
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4476 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4477 XCMS groupid (grpid): 664
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4478 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4479 PK$NUM_PEAK: 25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4480 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4481 101.071411132812 46732.83203125 5.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4482 102.055374145508 88983.625 9.83
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4483 103.054443359375 24983.80859375 2.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4484 105.530052185059 3419.52978515625 0.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4485 110.183616638184 3628.88647460938 0.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4486 120.081016540527 905217.25 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4487 129.066268920898 31941.962890625 3.53
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4488 130.049987792969 396376.3125 43.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4489 131.049407958984 5914.91162109375 0.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4490 147.076416015625 280807.375 31.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4491 172.265274047852 3955.26342773438 0.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4492 186.091079711914 48435.109375 5.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4493 195.076812744141 14915.5986328125 1.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4494 204.101287841797 5574.19091796875 0.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4495 206.006805419922 3512.30712890625 0.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4496 213.086929321289 7143.0380859375 0.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4497 223.071517944336 24099.07421875 2.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4498 231.111724853516 4500.54296875 0.5
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4499 240.097366333008 25176.005859375 2.78
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4500 241.081497192383 67114.1484375 7.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4501 249.123306274414 153377.234375 16.94
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4502 258.108184814453 74684.1171875 8.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4503 276.116180419922 4201.1201171875 0.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4504 277.118377685547 22414.9140625 2.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4505 410.809265136719 3803.65478515625 0.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4506
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4507 RECORD_TITLE: MZ:429.1368 \| RT:71.2 \| grpid:678 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4508 MS$FOCUSED_ION: PRECURSOR_M/Z 429.13678581444
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4509 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4510 XCMS groupid (grpid): 678
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4511 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4512 PK$NUM_PEAK: 36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4513 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4514 109.076499938965 20519.05859375 2.96
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4515 110.071670532227 13312.728515625 1.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4516 112.021877288818 82710.44140625 11.93
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4517 114.024883270264 11422.1201171875 1.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4518 114.037540435791 11964.6186523438 1.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4519 122.071590423584 6520.47412109375 0.94
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4520 127.032573699951 458510.1875 66.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4521 128.040382385254 693019.9375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4522 129.048179626465 56506.974609375 8.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4523 136.077072143555 5147.11962890625 0.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4524 136.086791992188 24540.8828125 3.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4525 136.087356567383 18493.7109375 2.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4526 137.094863891602 33973.240234375 4.9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4527 138.102523803711 30790.3271484375 4.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4528 139.032348632812 76817.875 11.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4529 140.118263244629 5251.27661132812 0.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4530 141.048034667969 143918.6953125 20.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4531 155.08113861084 33999.640625 4.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4532 155.081764221191 37740.1806640625 5.45
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4533 156.059150695801 3940.05224609375 0.57
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4534 160.030166625977 29954.84375 4.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4535 164.081848144531 7230.33959960938 1.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4536 167.02766418457 7541.39672851562 1.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4537 168.059448242188 6491.17895507812 0.94
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4538 169.067504882812 5221.84265136719 0.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4539 170.074562072754 158044.640625 22.81
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4540 182.092384338379 361618.75 52.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4541 184.108261108398 21158.958984375 3.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4542 185.037742614746 78874.28125 11.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4543 214.064086914062 40443.91796875 5.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4544 215.071990966797 30502.037109375 4.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4545 215.07300567627 17253.7470703125 2.49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4546 216.080032348633 236565.921875 34.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4547 429.136611938477 45988.427734375 6.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4548 429.138168334961 50634.658203125 7.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4549 429.18994140625 6761.64990234375 0.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4550
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4551 RECORD_TITLE: MZ:429.1368 \| RT:71.2 \| grpid:678 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4552 MS$FOCUSED_ION: PRECURSOR_M/Z 429.13678581444
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4553 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4554 XCMS groupid (grpid): 678
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4555 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4556 PK$NUM_PEAK: 36
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4557 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4558 109.076499938965 20519.05859375 2.96
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4559 110.071670532227 13312.728515625 1.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4560 112.021877288818 82710.44140625 11.93
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4561 114.024883270264 11422.1201171875 1.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4562 114.037540435791 11964.6186523438 1.73
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4563 122.071590423584 6520.47412109375 0.94
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4564 127.032573699951 458510.1875 66.16
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4565 128.040382385254 693019.9375 100
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4567 136.077072143555 5147.11962890625 0.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4568 136.086791992188 24540.8828125 3.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4569 136.087356567383 18493.7109375 2.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4570 137.094863891602 33973.240234375 4.9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4571 138.102523803711 30790.3271484375 4.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4572 139.032348632812 76817.875 11.08
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4573 140.118263244629 5251.27661132812 0.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4574 141.048034667969 143918.6953125 20.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4575 155.08113861084 33999.640625 4.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4576 155.081764221191 37740.1806640625 5.45
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4577 156.059150695801 3940.05224609375 0.57
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4578 160.030166625977 29954.84375 4.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4579 164.081848144531 7230.33959960938 1.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4580 167.02766418457 7541.39672851562 1.09
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4581 168.059448242188 6491.17895507812 0.94
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4582 169.067504882812 5221.84265136719 0.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4583 170.074562072754 158044.640625 22.81
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4584 182.092384338379 361618.75 52.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4585 184.108261108398 21158.958984375 3.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4586 185.037742614746 78874.28125 11.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4587 214.064086914062 40443.91796875 5.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4588 215.071990966797 30502.037109375 4.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4589 215.07300567627 17253.7470703125 2.49
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4590 216.080032348633 236565.921875 34.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4591 429.136611938477 45988.427734375 6.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4592 429.138168334961 50634.658203125 7.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4593 429.18994140625 6761.64990234375 0.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4594
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4595 RECORD_TITLE: MZ:436.215 \| RT:113.6 \| grpid:699 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4596 MS$FOCUSED_ION: PRECURSOR_M/Z 436.215002909334
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4597 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4598 XCMS groupid (grpid): 699
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4599 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4600 PK$NUM_PEAK: 10
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4601 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4602 114.550689697266 3498.04321289062 3.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4603 126.055046081543 4136.9013671875 3.69
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4604 198.05632019043 3261.10668945312 2.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4605 211.105438232422 20831.2734375 18.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4606 238.933578491211 3566.369140625 3.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4607 308.157409667969 49625.7265625 44.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4608 308.725555419922 3355.22119140625 3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4609 391.194641113281 36035.12109375 32.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4610 419.187896728516 22114.62890625 19.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4611 436.216918945312 111983.46875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4612
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4613 RECORD_TITLE: MZ:436.215 \| RT:113.6 \| grpid:699 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4614 MS$FOCUSED_ION: PRECURSOR_M/Z 436.215002909334
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4615 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4616 XCMS groupid (grpid): 699
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4617 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4618 PK$NUM_PEAK: 10
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4619 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4620 114.550689697266 3498.04321289062 3.12
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4621 126.055046081543 4136.9013671875 3.69
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4622 198.05632019043 3261.10668945312 2.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4623 211.105438232422 20831.2734375 18.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4624 238.933578491211 3566.369140625 3.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4625 308.157409667969 49625.7265625 44.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4626 308.725555419922 3355.22119140625 3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4627 391.194641113281 36035.12109375 32.18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4628 419.187896728516 22114.62890625 19.75
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4629 436.216918945312 111983.46875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4630
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4631 RECORD_TITLE: MZ:437.262 \| RT:82.7 \| grpid:705 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4632 MS$FOCUSED_ION: PRECURSOR_M/Z 437.26196926482
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4633 AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4634 XCMS groupid (grpid): 705
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4635 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4636 PK$NUM_PEAK: 21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4637 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4638 101.581962585449 3264.87109375 10.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4639 116.071166992188 3482.65063476562 10.88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4640 132.101989746094 22861.818359375 71.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4641 140.506622314453 3661.59790039062 11.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4642 147.764419555664 3555.626953125 11.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4643 166.32194519043 3513.9169921875 10.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4644 173.128684997559 15047.4008789062 47.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4645 190.630355834961 3462.4130859375 10.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4646 219.13419342041 18938.3564453125 59.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4647 223.021774291992 3237.18212890625 10.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4648 237.121078491211 10533.7990722656 32.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4649 241.07926940918 10459.0668945312 32.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4650 272.117065429688 3352.75439453125 10.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4651 272.986541748047 3474.1796875 10.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4652 298.806793212891 3269.32861328125 10.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4653 319.409149169922 3631.1552734375 11.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4654 328.813140869141 3904.8525390625 12.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4655 338.132110595703 21197.6826171875 66.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4656 434.605041503906 3691.54809570312 11.53
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4657 437.200073242188 32005.328125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4658 437.202575683594 31969.298828125 99.89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4659
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4660 RECORD_TITLE: MZ:437.262 \| RT:82.7 \| grpid:705 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4661 MS$FOCUSED_ION: PRECURSOR_M/Z 437.26196926482
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4662 AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4663 XCMS groupid (grpid): 705
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4664 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4665 PK$NUM_PEAK: 21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4666 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4667 101.581962585449 3264.87109375 10.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4668 116.071166992188 3482.65063476562 10.88
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4669 132.101989746094 22861.818359375 71.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4670 140.506622314453 3661.59790039062 11.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4671 147.764419555664 3555.626953125 11.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4672 166.32194519043 3513.9169921875 10.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4673 173.128684997559 15047.4008789062 47.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4674 190.630355834961 3462.4130859375 10.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4675 219.13419342041 18938.3564453125 59.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4676 223.021774291992 3237.18212890625 10.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4677 237.121078491211 10533.7990722656 32.91
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4678 241.07926940918 10459.0668945312 32.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4679 272.117065429688 3352.75439453125 10.48
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4680 272.986541748047 3474.1796875 10.86
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4681 298.806793212891 3269.32861328125 10.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4682 319.409149169922 3631.1552734375 11.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4683 328.813140869141 3904.8525390625 12.2
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4684 338.132110595703 21197.6826171875 66.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4685 434.605041503906 3691.54809570312 11.53
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4686 437.200073242188 32005.328125 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4687 437.202575683594 31969.298828125 99.89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4688
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4689 RECORD_TITLE: MZ:452.192 \| RT:112.8 \| grpid:739 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4690 MS$FOCUSED_ION: PRECURSOR_M/Z 452.191973065994
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4691 AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4692 XCMS groupid (grpid): 739
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4693 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4694 PK$NUM_PEAK: 9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4695 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4696 102.97029876709 3784.47021484375 8.69
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4697 104.049896240234 3122.90185546875 7.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4698 116.335182189941 3076.12817382812 7.07
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4699 116.576026916504 2942.82885742188 6.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4700 173.128524780273 11933.6540527344 27.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4701 183.460662841797 3233.1337890625 7.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4702 242.185913085938 4649.87841796875 10.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4703 431.172515869141 3883.38818359375 8.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4704 452.189651489258 43539.763671875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4705
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4706 RECORD_TITLE: MZ:452.192 \| RT:112.8 \| grpid:739 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4707 MS$FOCUSED_ION: PRECURSOR_M/Z 452.191973065994
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4708 AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4709 XCMS groupid (grpid): 739
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4710 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4711 PK$NUM_PEAK: 9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4712 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4713 102.97029876709 3784.47021484375 8.69
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4714 104.049896240234 3122.90185546875 7.17
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4715 116.335182189941 3076.12817382812 7.07
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4716 116.576026916504 2942.82885742188 6.76
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4717 173.128524780273 11933.6540527344 27.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4718 183.460662841797 3233.1337890625 7.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4719 242.185913085938 4649.87841796875 10.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4720 431.172515869141 3883.38818359375 8.92
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4721 452.189651489258 43539.763671875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4722
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4723 RECORD_TITLE: MZ:461.2071 \| RT:76.5 \| grpid:757 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4724 MS$FOCUSED_ION: PRECURSOR_M/Z 461.207113324101
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4725 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4726 XCMS groupid (grpid): 757
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4727 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4728 PK$NUM_PEAK: 10
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4729 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4730 108.938446044922 3487.57153320312 0.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4731 110.10814666748 3973.40063476562 0.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4732 112.037200927734 64088.408203125 4.45
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4733 143.304336547852 4037.703125 0.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4734 150.591278076172 5008.4482421875 0.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4735 153.052314758301 41625.958984375 2.89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4736 194.078971862793 5477.90405273438 0.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4737 224.089454650879 63665.341796875 4.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4738 242.099769592285 1441747.6875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4739 483.839416503906 4609.6552734375 0.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4740
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4741 RECORD_TITLE: MZ:461.2071 \| RT:76.5 \| grpid:757 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4742 MS$FOCUSED_ION: PRECURSOR_M/Z 461.207113324101
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4743 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4744 XCMS groupid (grpid): 757
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4745 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4746 PK$NUM_PEAK: 10
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4747 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4748 108.938446044922 3487.57153320312 0.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4749 110.10814666748 3973.40063476562 0.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4750 112.037200927734 64088.408203125 4.45
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4751 143.304336547852 4037.703125 0.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4752 150.591278076172 5008.4482421875 0.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4753 153.052314758301 41625.958984375 2.89
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4754 194.078971862793 5477.90405273438 0.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4755 224.089454650879 63665.341796875 4.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4756 242.099769592285 1441747.6875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4757 483.839416503906 4609.6552734375 0.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4758
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4759 RECORD_TITLE: MZ:462.2212 \| RT:57.7 \| grpid:759 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4760 MS$FOCUSED_ION: PRECURSOR_M/Z 462.22122959389
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4761 AC$CHROMATOGRAPHY: RETENTION_TIME 57.7060356
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4762 XCMS groupid (grpid): 759
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4763 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4764 PK$NUM_PEAK: 33
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4765 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4766 102.055290222168 25408.091796875 7.69
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4768 115.087074279785 4629.81689453125 1.4
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4782 159.076431274414 88771.7109375 26.86
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4786 183.076766967773 6105.44970703125 1.85
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4798 359.028900146484 14643.9267578125 4.43
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4800 RECORD_TITLE: MZ:462.2212 \| RT:57.7 \| grpid:759 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4801 MS$FOCUSED_ION: PRECURSOR_M/Z 462.22122959389
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4802 AC$CHROMATOGRAPHY: RETENTION_TIME 57.7060356
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4803 XCMS groupid (grpid): 759
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4804 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4841 RECORD_TITLE: MZ:476.1907 \| RT:81.2 \| grpid:787 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4842 MS$FOCUSED_ION: PRECURSOR_M/Z 476.190702761819
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4843 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4845 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4859 168.065734863281 34263.20703125 18.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4860 169.069137573242 19527.5078125 10.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4861 186.076034545898 28047.16015625 15.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4862 187.079437255859 19129.1875 10.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4863 276.075790405273 5173.6982421875 2.87
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4864 301.13948059082 13626.3889160156 7.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4865 302.141845703125 24162.619140625 13.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4866
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4867 RECORD_TITLE: MZ:476.1907 \| RT:81.2 \| grpid:787 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4868 MS$FOCUSED_ION: PRECURSOR_M/Z 476.190702761819
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4869 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4870 XCMS groupid (grpid): 787
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4871 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4872 PK$NUM_PEAK: 18
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4873 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4874 102.055328369141 20673.876953125 11.45
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4875 116.07088470459 19897.814453125 11.02
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4876 126.055053710938 43490.20703125 24.1
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4877 127.058502197266 15861.7431640625 8.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4878 130.050018310547 19434.638671875 10.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4879 138.054931640625 180482.1875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4880 139.058486938477 99697.390625 55.24
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4881 144.065582275391 49917.9921875 27.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4882 145.068878173828 21013.943359375 11.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4883 148.06037902832 60128.3203125 33.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4884 149.064025878906 19258.330078125 10.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4885 168.065734863281 34263.20703125 18.98
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4886 169.069137573242 19527.5078125 10.82
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4887 186.076034545898 28047.16015625 15.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4888 187.079437255859 19129.1875 10.6
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4889 276.075790405273 5173.6982421875 2.87
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4890 301.13948059082 13626.3889160156 7.55
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4891 302.141845703125 24162.619140625 13.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4892
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4893 RECORD_TITLE: MZ:487.1812 \| RT:66.7 \| grpid:812 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4894 MS$FOCUSED_ION: PRECURSOR_M/Z 487.181176540989
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4895 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4896 XCMS groupid (grpid): 812
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4897 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4898 PK$NUM_PEAK: 7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4899 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4900 103.690208435059 5716.66162109375 0.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4901 112.050846099854 11784687 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4902 174.621200561523 5244.80419921875 0.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4903 200.266555786133 5990.37744140625 0.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4904 244.092681884766 114135.3828125 0.97
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4905 294.906677246094 6473.75732421875 0.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4906 448.8837890625 6051.86181640625 0.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4907
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4908 RECORD_TITLE: MZ:487.1812 \| RT:66.7 \| grpid:812 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4909 MS$FOCUSED_ION: PRECURSOR_M/Z 487.181176540989
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4910 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4911 XCMS groupid (grpid): 812
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4912 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4913 PK$NUM_PEAK: 7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4914 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4915 103.690208435059 5716.66162109375 0.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4916 112.050846099854 11784687 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4917 174.621200561523 5244.80419921875 0.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4918 200.266555786133 5990.37744140625 0.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4919 244.092681884766 114135.3828125 0.97
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4920 294.906677246094 6473.75732421875 0.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4921 448.8837890625 6051.86181640625 0.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4922
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4923 RECORD_TITLE: MZ:494.1968 \| RT:49.9 \| grpid:830 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4924 MS$FOCUSED_ION: PRECURSOR_M/Z 494.196757645669
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4925 AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4926 XCMS groupid (grpid): 830
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4927 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4928 PK$NUM_PEAK: 43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4929 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4930 101.02392578125 4665.49853515625 0.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4931 102.055374145508 147275.96875 14.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4932 102.392883300781 3496.21337890625 0.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4933 108.04434967041 4591.63720703125 0.45
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4934 108.044906616211 7338.142578125 0.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4935 109.028678894043 35977.96484375 3.53
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4936 110.060516357422 4515.4990234375 0.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4937 112.050483703613 5202.08544921875 0.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4938 114.055294036865 8047.6591796875 0.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4939 116.070938110352 148026.921875 14.53
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4940 126.055130004883 383223.53125 37.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4941 127.039051055908 19638.7255859375 1.93
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4942 130.049903869629 124625.0859375 12.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4943 131.064346313477 4367.2939453125 0.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4944 133.538024902344 3557.1923828125 0.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4945 134.355972290039 4310.93603515625 0.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4946 136.169921875 4170.79638671875 0.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4947 138.054985046387 1018626.90625 100
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4949 144.054061889648 6955.7412109375 0.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4950 144.065574645996 275421.6875 27.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4951 148.060394287109 523997.53125 51.44
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4953 168.051147460938 6748.05224609375 0.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4954 168.065574645996 174448.5546875 17.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4955 186.076110839844 123347.046875 12.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4956 197.289779663086 4408.47607421875 0.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4957 219.097625732422 8514.79125976562 0.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4958 230.102722167969 7866.95288085938 0.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4959 239.558517456055 4159.935546875 0.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4960 258.096481323242 12516.89453125 1.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4961 285.323272705078 4496.87939453125 0.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4962 291.116821289062 6737.97021484375 0.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4963 291.118927001953 8675.626953125 0.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4964 301.107269287109 5462.4970703125 0.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4965 301.139266967773 89015.59375 8.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4966 302.220367431641 3734.84155273438 0.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4967 319.864624023438 4290.947265625 0.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4968 329.133895874023 12967.8857421875 1.27
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4969 332.25048828125 4750.3056640625 0.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4970 342.581665039062 3982.03881835938 0.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4971 376.824645996094 3809.353515625 0.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4972 426.685913085938 4104.65283203125 0.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4973
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4974 RECORD_TITLE: MZ:494.1968 \| RT:49.9 \| grpid:830 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4975 MS$FOCUSED_ION: PRECURSOR_M/Z 494.196757645669
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4976 AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4977 XCMS groupid (grpid): 830
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4978 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4979 PK$NUM_PEAK: 43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4980 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4981 101.02392578125 4665.49853515625 0.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4982 102.055374145508 147275.96875 14.46
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4983 102.392883300781 3496.21337890625 0.34
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4984 108.04434967041 4591.63720703125 0.45
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4985 108.044906616211 7338.142578125 0.72
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4986 109.028678894043 35977.96484375 3.53
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4987 110.060516357422 4515.4990234375 0.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4988 112.050483703613 5202.08544921875 0.51
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4989 114.055294036865 8047.6591796875 0.79
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4990 116.070938110352 148026.921875 14.53
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4991 126.055130004883 383223.53125 37.62
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4992 127.039051055908 19638.7255859375 1.93
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4993 130.049903869629 124625.0859375 12.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4994 131.064346313477 4367.2939453125 0.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4995 133.538024902344 3557.1923828125 0.35
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4996 134.355972290039 4310.93603515625 0.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4997 136.169921875 4170.79638671875 0.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4998 138.054985046387 1018626.90625 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	4999 140.379119873047 4150.32763671875 0.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5000 144.054061889648 6955.7412109375 0.68
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5001 144.065574645996 275421.6875 27.04
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5002 148.060394287109 523997.53125 51.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5003 150.054046630859 3918.6318359375 0.38
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5004 168.051147460938 6748.05224609375 0.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5005 168.065574645996 174448.5546875 17.13
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5006 186.076110839844 123347.046875 12.11
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5007 197.289779663086 4408.47607421875 0.43
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5008 219.097625732422 8514.79125976562 0.84
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5009 230.102722167969 7866.95288085938 0.77
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5010 239.558517456055 4159.935546875 0.41
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5011 258.096481323242 12516.89453125 1.23
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5012 285.323272705078 4496.87939453125 0.44
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5013 291.116821289062 6737.97021484375 0.66
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5014 291.118927001953 8675.626953125 0.85
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5015 301.107269287109 5462.4970703125 0.54
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5016 301.139266967773 89015.59375 8.74
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5017 302.220367431641 3734.84155273438 0.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5018 319.864624023438 4290.947265625 0.42
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5019 329.133895874023 12967.8857421875 1.27
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5020 332.25048828125 4750.3056640625 0.47
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5021 342.581665039062 3982.03881835938 0.39
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5022 376.824645996094 3809.353515625 0.37
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5023 426.685913085938 4104.65283203125 0.4
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5024
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5025 RECORD_TITLE: MZ:498.1693 \| RT:81.2 \| grpid:840 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5026 MS$FOCUSED_ION: PRECURSOR_M/Z 498.169308539313
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5027 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5028 XCMS groupid (grpid): 840
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5029 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5030 PK$NUM_PEAK: 15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5031 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5032 110.071098327637 19380.7294921875 1.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5033 113.020816802979 9337.1875 0.81
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5034 136.075546264648 26832.8837890625 2.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5035 138.054496765137 22557.607421875 1.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5036 208.058097839355 58436.056640625 5.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5037 226.068435668945 146951.8125 12.7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5038 236.147369384766 6149.79077148438 0.53
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5039 279.0947265625 24795.88671875 2.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5040 298.089447021484 615103.03125 53.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5041 323.121139526367 466568.765625 40.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5042 351.116027832031 196796 17.01
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5043 369.126586914062 886075.9375 76.57
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5044 452.164505004883 53825.01953125 4.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5045 480.157821655273 18973.7768554688 1.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5046 498.169281005859 1157278.375 100
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cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5048 RECORD_TITLE: MZ:498.1693 \| RT:81.2 \| grpid:840 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5049 MS$FOCUSED_ION: PRECURSOR_M/Z 498.169308539313
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5050 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5051 XCMS groupid (grpid): 840
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5052 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5053 PK$NUM_PEAK: 15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5054 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5055 110.071098327637 19380.7294921875 1.67
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5056 113.020816802979 9337.1875 0.81
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5057 136.075546264648 26832.8837890625 2.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5058 138.054496765137 22557.607421875 1.95
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5059 208.058097839355 58436.056640625 5.05
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5060 226.068435668945 146951.8125 12.7
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5061 236.147369384766 6149.79077148438 0.53
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5062 279.0947265625 24795.88671875 2.14
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5063 298.089447021484 615103.03125 53.15
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5064 323.121139526367 466568.765625 40.32
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5065 351.116027832031 196796 17.01
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5066 369.126586914062 886075.9375 76.57
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5067 452.164505004883 53825.01953125 4.65
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5068 480.157821655273 18973.7768554688 1.64
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5069 498.169281005859 1157278.375 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5070
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5071 RECORD_TITLE: MZ:499.2505 \| RT:129.3 \| grpid:843 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5072 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250501059464
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5073 AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5074 XCMS groupid (grpid): 843
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5075 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5076 PK$NUM_PEAK: 9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5077 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5078 110.034912109375 5403.05908203125 0.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5079 118.086486816406 5748.27075195312 0.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5080 119.035583496094 4770.26611328125 0.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5081 137.045799255371 1940576.6875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5082 143.80290222168 3752.88916015625 0.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5083 185.164245605469 6015.66552734375 0.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5084 188.177719116211 3627.47534179688 0.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5085 231.170310974121 77430.171875 3.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5086 473.909973144531 4030.2705078125 0.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5087
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5088 RECORD_TITLE: MZ:499.2505 \| RT:129.3 \| grpid:843 \| file:NA
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5089 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250501059464
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5090 AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5091 XCMS groupid (grpid): 843
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5092 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5093 PK$NUM_PEAK: 9
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5094 PK$PEAK: m/z int. rel.int.
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5095 110.034912109375 5403.05908203125 0.28
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5096 118.086486816406 5748.27075195312 0.3
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5097 119.035583496094 4770.26611328125 0.25
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5098 137.045799255371 1940576.6875 100
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5099 143.80290222168 3752.88916015625 0.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5100 185.164245605469 6015.66552734375 0.31
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5101 188.177719116211 3627.47534179688 0.19
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5102 231.170310974121 77430.171875 3.99
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5103 473.909973144531 4030.2705078125 0.21
cdf48fd76e98 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty tomnl parents: diff changeset	5104

Mercurial > repos > tomnl > mspurity_frag4feature

annotate test-data/createMSP_output_av_all.msp @ 0:cdf48fd76e98 draft