Mercurial > repos > computational-metabolomics > mspurity_spectralmatching
diff test-data/createMSP_output_av_all_metadata.msp @ 2:07745c473323 draft
"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 242de155f13acd6cb88946e89b5196ac55578aa8"
| author | computational-metabolomics |
|---|---|
| date | Wed, 01 Apr 2020 10:57:09 -0400 |
| parents | 5ff9d40c7a42 |
| children | fecfe8c80e25 |
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--- a/test-data/createMSP_output_av_all_metadata.msp Thu Dec 05 07:34:21 2019 -0500 +++ b/test-data/createMSP_output_av_all_metadata.msp Wed Apr 01 10:57:09 2020 -0400 @@ -10,7 +10,7 @@ CH$LINK: PUBCHEM CID:5328 CH$NAME Unknown XCMS groupid (grpid): 12 -COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.12.0 +COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.12.2 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 112.050884246826 502873.46875 100 @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5328 CH$NAME Unknown XCMS groupid (grpid): 12 -COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.12.0 +COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.12.2 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 112.050884246826 502873.46875 100