Mercurial > repos > tomnl > mspurity_dimspredictpuritysingle
diff test-data/createMSP_output_av_all_metadata.msp @ 14:1389e565f95e draft default tip
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit cb903cd93f9378cfb5eeb68512a54178dcea7bbc
| author | tomnl |
|---|---|
| date | Wed, 27 Nov 2019 12:37:27 +0000 |
| parents | a90832e6acb2 |
| children |
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--- a/test-data/createMSP_output_av_all_metadata.msp Fri Sep 27 09:27:10 2019 -0400 +++ b/test-data/createMSP_output_av_all_metadata.msp Wed Nov 27 12:37:27 2019 +0000 @@ -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:1.11.4 +COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.12.0 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:1.11.4 +COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.12.0 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 112.050884246826 502873.46875 100