Mercurial > repos > recetox > ramclustr

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

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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
@@ -0,0 +1,53 @@
+NAME:C1
+IONMODE:Negative
+SPECTRUMTYPE:Centroid
+RETENTIONTIME:54.89
+Num Peaks:10
+135.0295 9979069
+179.056 5594441
+195.0506 2625643
+165.0401 1960745
+187.0372 1743661
+148.0279 995311
+146.0145 950514
+219.0448 540250
+189.0327 411265
+180.0589 227648
+
+NAME:C2
+IONMODE:Negative
+SPECTRUMTYPE:Centroid
+RETENTIONTIME:63.74
+Num Peaks:8
+191.0193 28601409
+111.0086 2371386
+129.0192 2125989
+192.0223 1724583
+85.0294 991832
+87.0087 956947
+359.0473 811419
+101.0241 397166
+
+NAME:C3
+IONMODE:Negative
+SPECTRUMTYPE:Centroid
+RETENTIONTIME:59.06
+Num Peaks:7
+149.0451 7763606
+151.0067 3434565
+166.0174 822559
+75.0087 771138
+177.0401 707232
+209.066 258300
+178.0633 166079
+
+NAME:C4
+IONMODE:Negative
+SPECTRUMTYPE:Centroid
+RETENTIONTIME:50.66
+Num Peaks:4
+96.9692 6132644
+102.9565 1867855
+176.8926 120442
+184.8312 80882
+