Mercurial > repos > tomnl > mspurity_createdatabase
comparison test-data/createMSP_output_av_all_and_all_xcms.msp @ 0:f075f67c7416 draft
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
| author | tomnl |
|---|---|
| date | Fri, 24 May 2019 08:59:45 -0400 |
| parents | |
| children | 6ed8168e4736 |
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| -1:000000000000 | 0:f075f67c7416 |
|---|---|
| 1 RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA | |
| 2 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 | |
| 3 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 | |
| 4 XCMS groupid (grpid): 12 | |
| 5 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0 | |
| 6 PK$NUM_PEAK: 2 | |
| 7 PK$PEAK: m/z int. rel.int. | |
| 8 112.050884246826 502873.46875 100 | |
| 9 126.53768157959 2499.31469726562 0.5 | |
| 10 | |
| 11 RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA | |
| 12 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 | |
| 13 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 | |
| 14 XCMS groupid (grpid): 12 | |
| 15 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.0 | |
| 16 PK$NUM_PEAK: 2 | |
| 17 PK$PEAK: m/z int. rel.int. | |
| 18 112.050884246826 502873.46875 100 | |
| 19 126.53768157959 2499.31469726562 0.5 | |
| 20 |