Mercurial > repos > recetox > matchms

diff test-data/filtering/input.msp @ 11:ba9410f612bc draft

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"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit c32f579c38aef4c2c5d088e6c1c9e522bc0a1a12"
author recetox
date Thu, 17 Mar 2022 12:26:24 +0000
parents c3dd958cc4a5
children
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line diff
--- a/test-data/filtering/input.msp	Fri Jan 28 16:22:06 2022 +0000
+++ b/test-data/filtering/input.msp	Thu Mar 17 12:26:24 2022 +0000
@@ -1,7 +1,7 @@
 NAME:C001
 IONMODE:Negative
 RETENTIONTIME:38.74
-RETENTIONINDEX:
+RETENTIONINDEX: -1
 SPECTRUMTYPE:Centroid
 Num Peaks:57
 216.9205 32607700
@@ -65,7 +65,7 @@
 NAME:C002
 IONMODE:Negative
 RETENTIONTIME:520.25
-RETENTIONINDEX:
+RETENTIONINDEX: 1234.5
 SPECTRUMTYPE:Centroid
 Num Peaks:35
 525.375 1073323842
@@ -107,7 +107,6 @@
 NAME:C003
 IONMODE:Negative
 RETENTIONTIME:483.67
-RETENTIONINDEX:
 SPECTRUMTYPE:Centroid
 Num Peaks:26
 522.3565 4089569222
@@ -140,7 +139,6 @@
 NAME:C004
 IONMODE:Negative
 RETENTIONTIME:473.48
-RETENTIONINDEX:
 SPECTRUMTYPE:Centroid
 Num Peaks:24
 496.34 12577588056
@@ -171,7 +169,6 @@
 NAME:C005
 IONMODE:Negative
 RETENTIONTIME:41.72
-RETENTIONINDEX:
 SPECTRUMTYPE:Centroid
 Num Peaks:20
 337.0623 88672453