Mercurial > repos > recetox > matchms_formatter
comparison test-data/filtering/relative_intensity.msp @ 0:60f34912b3de draft
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
author | recetox |
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date | Tue, 22 Mar 2022 16:08:45 +0000 |
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-1:000000000000 | 0:60f34912b3de |
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1 IONMODE: negative | |
2 SPECTRUMTYPE: Centroid | |
3 COMPOUND_NAME: C001 | |
4 RETENTION_TIME: 38.74 | |
5 RETENTION_INDEX: None | |
6 NUM PEAKS: 16 | |
7 138.9121 10186226.0 | |
8 175.0641 26780143.0 | |
9 196.8658 21390430.0 | |
10 198.8647 21688594.0 | |
11 206.9034 26130980.0 | |
12 254.8252 23747536.0 | |
13 258.8237 15532799.0 | |
14 266.8652 9805546.0 | |
15 312.7841 10051801.0 | |
16 316.7777 10734168.0 | |
17 372.7383 19374863.0 | |
18 382.8218 12815572.0 | |
19 392.7685 10913351.0 | |
20 434.7287 9943329.0 | |
21 440.7322 10603010.0 | |
22 488.6825 12267966.0 | |
23 | |
24 IONMODE: negative | |
25 SPECTRUMTYPE: Centroid | |
26 COMPOUND_NAME: C002 | |
27 RETENTION_TIME: 520.25 | |
28 RETENTION_INDEX: 1234.5 | |
29 NUM PEAKS: 0 | |
30 | |
31 IONMODE: negative | |
32 SPECTRUMTYPE: Centroid | |
33 COMPOUND_NAME: C003 | |
34 RETENTION_TIME: 483.67 | |
35 NUM PEAKS: 0 | |
36 | |
37 IONMODE: negative | |
38 SPECTRUMTYPE: Centroid | |
39 COMPOUND_NAME: C004 | |
40 RETENTION_TIME: 473.48 | |
41 NUM PEAKS: 0 | |
42 | |
43 IONMODE: negative | |
44 SPECTRUMTYPE: Centroid | |
45 COMPOUND_NAME: C005 | |
46 RETENTION_TIME: 41.72 | |
47 NUM PEAKS: 3 | |
48 353.0361 37061354.0 | |
49 359.0443 48435582.0 | |
50 375.018 29159485.0 | |
51 |