Mercurial > repos > recetox > matchms_subsetting

comparison test-data/remove_spectra/require_retention_time.msp @ 18:6ac4a790adad draft default tip

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit bd80a813fb2f01f22eed0c874f8911ce4d00762a
author recetox
date Mon, 30 Jun 2025 13:05:31 +0000
parents c4835715c7ac
children
comparison
equal deleted inserted replaced
17:5bbd1a8404f5 18:6ac4a790adad
1 COMPOUND_NAME: C001
1 IONMODE: negative 2 IONMODE: negative
2 SPECTRUMTYPE: Centroid 3 SPECTRUMTYPE: Centroid
3 COMPOUND_NAME: C001
4 RETENTION_TIME: 38.74 4 RETENTION_TIME: 38.74
5 RETENTION_INDEX: None 5 RETENTION_INDEX: None
6 NUM PEAKS: 16 6 NUM PEAKS: 16
7 138.9121 10186226.0 7 138.9121 10186226.0
8 175.0641 26780143.0 8 175.0641 26780143.0
9 196.8658 21390430.0 9 196.8658 21390430.0
10 198.8647 21688594.0 10 198.8647 21688594.0
11 206.9034 26130980.0 11 206.9034 26130980.0
12 254.8252 23747536.0 12 254.8252 23747536.0
13 258.8237 15532799.0 13 258.8237 15532799.0
14 266.8652 9805546.0 14 266.8652 9805546.0
15 312.7841 10051801.0 15 312.7841 10051801.0
16 316.7777 10734168.0 16 316.7777 10734168.0
17 372.7383 19374863.0 17 372.7383 19374863.0
18 382.8218 12815572.0 18 382.8218 12815572.0
19 392.7685 10913351.0 19 392.7685 10913351.0
20 434.7287 9943329.0 20 434.7287 9943329.0
21 440.7322 10603010.0 21 440.7322 10603010.0
22 488.6825 12267966.0 22 488.6825 12267966.0
23 23