Mercurial > repos > recetox > matchms_formatter
view test-data/filtering/relative_intensity.msp @ 6:e1ee139b279a draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5888b20035c9c782b7c94495b0760134f82f4c2e
author | recetox |
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date | Thu, 27 Apr 2023 12:02:05 +0000 |
parents | 60f34912b3de |
children |
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IONMODE: negative SPECTRUMTYPE: Centroid COMPOUND_NAME: C001 RETENTION_TIME: 38.74 RETENTION_INDEX: None NUM PEAKS: 16 138.9121 10186226.0 175.0641 26780143.0 196.8658 21390430.0 198.8647 21688594.0 206.9034 26130980.0 254.8252 23747536.0 258.8237 15532799.0 266.8652 9805546.0 312.7841 10051801.0 316.7777 10734168.0 372.7383 19374863.0 382.8218 12815572.0 392.7685 10913351.0 434.7287 9943329.0 440.7322 10603010.0 488.6825 12267966.0 IONMODE: negative SPECTRUMTYPE: Centroid COMPOUND_NAME: C002 RETENTION_TIME: 520.25 RETENTION_INDEX: 1234.5 NUM PEAKS: 0 IONMODE: negative SPECTRUMTYPE: Centroid COMPOUND_NAME: C003 RETENTION_TIME: 483.67 NUM PEAKS: 0 IONMODE: negative SPECTRUMTYPE: Centroid COMPOUND_NAME: C004 RETENTION_TIME: 473.48 NUM PEAKS: 0 IONMODE: negative SPECTRUMTYPE: Centroid COMPOUND_NAME: C005 RETENTION_TIME: 41.72 NUM PEAKS: 3 353.0361 37061354.0 359.0443 48435582.0 375.018 29159485.0