Mercurial > repos > tomnl > mspurity_flagremove
diff test-data/createMSP_output_av_all_and_all_xcms.msp @ 12:2c8b5a640a04 draft
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit bbbcc75d51c020446fd00d76f908a6250266cfea
| author | tomnl |
|---|---|
| date | Fri, 13 Sep 2019 11:49:43 -0400 |
| parents | a03407367135 |
| children | b71677d4f958 |
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--- a/test-data/createMSP_output_av_all_and_all_xcms.msp Thu Jun 27 12:28:15 2019 -0400 +++ b/test-data/createMSP_output_av_all_and_all_xcms.msp Fri Sep 13 11:49:43 2019 -0400 @@ -1,8 +1,8 @@ -RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA +RECORD_TITLE: MZ:112.0508 | RT:67.5 | grpid:12 | file:NA | adduct:NA MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903 XCMS groupid (grpid): 12 -COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.1 +COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.3 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 112.050884246826 502873.46875 100