Mercurial > repos > computational-metabolomics > mspurity_spectralmatching
diff test-data/createMSP_output_av_all_metadata.msp @ 6:fecfe8c80e25 draft
"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2579c8746819670348c378f86116f83703c493eb"
| author | computational-metabolomics |
|---|---|
| date | Thu, 04 Mar 2021 12:32:11 +0000 |
| parents | 07745c473323 |
| children | c33b92eeb1fb |
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--- a/test-data/createMSP_output_av_all_metadata.msp Fri Nov 13 10:02:32 2020 +0000 +++ b/test-data/createMSP_output_av_all_metadata.msp Thu Mar 04 12:32:11 2021 +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:1.12.2 +COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.16.2 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:1.12.2 +COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.16.2 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 112.050884246826 502873.46875 100