Mercurial > repos > recetox > ramclustr_define_experiment

comparison test-data/test6_out.msp @ 7:7c50666b88e8 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 07:51:35 +0000
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6:bc237895081d 7:7c50666b88e8
1 NAME:C1
2 IONMODE:Negative
3 SPECTRUMTYPE:Centroid
4 RETENTIONTIME:54.89
5 Num Peaks:10
6 135.0295 9979069
7 179.056 5594441
8 195.0506 2625643
9 165.0401 1960745
10 187.0372 1743661
11 148.0279 995311
12 146.0145 950514
13 219.0448 540250
14 189.0327 411265
15 180.0589 227648
16
17 NAME:C2
18 IONMODE:Negative
19 SPECTRUMTYPE:Centroid
20 RETENTIONTIME:63.74
21 Num Peaks:8
22 191.0193 28601409
23 111.0086 2371386
24 129.0192 2125989
25 192.0223 1724583
26 85.0294 991832
27 87.0087 956947
28 359.0473 811419
29 101.0241 397166
30
31 NAME:C3
32 IONMODE:Negative
33 SPECTRUMTYPE:Centroid
34 RETENTIONTIME:59.06
35 Num Peaks:7
36 149.0451 7763606
37 151.0067 3434565
38 166.0174 822559
39 75.0087 771138
40 177.0401 707232
41 209.066 258300
42 178.0633 166079
43
44 NAME:C4
45 IONMODE:Negative
46 SPECTRUMTYPE:Centroid
47 RETENTIONTIME:50.66
48 Num Peaks:4
49 96.9692 6132644
50 102.9565 1867855
51 176.8926 120442
52 184.8312 80882
53