Mercurial > repos > recetox > matchms_metadata_match

diff test-data/subsetting/subsetting_output2.msp @ 10:91b4b0c9a384 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
author recetox
date Mon, 05 Feb 2024 10:38:50 +0000
parents ec100506fbe3
children
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--- a/test-data/subsetting/subsetting_output2.msp	Mon Jan 15 12:28:34 2024 +0000
+++ b/test-data/subsetting/subsetting_output2.msp	Mon Feb 05 10:38:50 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