Mercurial > repos > recetox > ramclustr

view 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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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