diff test-data/test6_out.msp @ 9:d70dd1d6ac4d draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit 8775353ea1dddf10877441e158c7271a401d036e
author recetox
date Wed, 17 Apr 2024 07:51:23 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/test6_out.msp	Wed Apr 17 07:51:23 2024 +0000
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+NAME:C1
+IONMODE:Negative
+SPECTRUMTYPE:Centroid
+RETENTIONTIME:54.89
+Num Peaks:10
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+
+NAME:C2
+IONMODE:Negative
+SPECTRUMTYPE:Centroid
+RETENTIONTIME:63.74
+Num Peaks:8
+191.0193 28601409
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+
+NAME:C3
+IONMODE:Negative
+SPECTRUMTYPE:Centroid
+RETENTIONTIME:59.06
+Num Peaks:7
+149.0451 7763606
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+
+NAME:C4
+IONMODE:Negative
+SPECTRUMTYPE:Centroid
+RETENTIONTIME:50.66
+Num Peaks:4
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+