Mercurial > repos > recetox > matchms_networking
diff test-data/subsetting/subsetting_output2.msp @ 16:3b512cb31cb5 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
author | recetox |
---|---|
date | Mon, 05 Feb 2024 10:35:12 +0000 |
parents | 5a24a419aafe |
children |
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--- a/test-data/subsetting/subsetting_output2.msp Mon Jan 15 12:30:14 2024 +0000 +++ b/test-data/subsetting/subsetting_output2.msp Mon Feb 05 10:35:12 2024 +0000 @@ -1,8 +1,7 @@ +NAME: C003 IONMODE: Negative +RETENTIONTIME: 483.67 SPECTRUMTYPE: Centroid -COMPOUND_NAME: C003 -RETENTION_TIME: 483.67 -TOOL_USED: matchms NUM PEAKS: 26 265.2529 11366224.0 266.2564 1420444.0 @@ -31,11 +30,10 @@ 1071.1639 15461047.0 1072.1671 5096642.0 +NAME: C005 IONMODE: Negative +RETENTIONTIME: 41.72 SPECTRUMTYPE: Centroid -COMPOUND_NAME: C005 -RETENTION_TIME: 41.72 -TOOL_USED: matchms NUM PEAKS: 20 218.1386 14009249.0 337.0623 88672453.0