Mercurial > repos > recetox > ramclustr
comparison 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 |
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date | Wed, 17 Apr 2024 07:51:23 +0000 |
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8:c043e1fd79d1 | 9:d70dd1d6ac4d |
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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 |