Mercurial > repos > recetox > matchms_formatter
view test-data/filtering/reduce_to_top_n_peaks.msp @ 21:23d4bc72c505 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 98223db312c30b0e121a1422a9534a3db3fbf0c0
author | recetox |
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date | Thu, 14 Dec 2023 13:42:45 +0000 |
parents | ae45992f969e |
children |
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IONMODE: negative SPECTRUMTYPE: Centroid COMPOUND_NAME: C001 RETENTION_TIME: 38.74 RETENTION_INDEX: None NUM PEAKS: 5 175.0641 26780143.0 206.9034 26130980.0 216.9205 32607700.0 254.8252 23747536.0 256.8215 31377637.0 IONMODE: negative SPECTRUMTYPE: Centroid COMPOUND_NAME: C002 RETENTION_TIME: 520.25 RETENTION_INDEX: 1234.5 NUM PEAKS: 5 310.1623 295359836.0 525.375 1073323842.0 526.3783 181668883.0 551.3321 111616808.0 1047.7378 150394804.0 IONMODE: negative SPECTRUMTYPE: Centroid COMPOUND_NAME: C003 RETENTION_TIME: 483.67 NUM PEAKS: 5 288.6414 202172046.0 522.3565 4089569222.0 523.354 1201714423.0 1043.7028 144351468.0 1044.7068 83271854.0 IONMODE: negative SPECTRUMTYPE: Centroid COMPOUND_NAME: C004 RETENTION_TIME: 473.48 NUM PEAKS: 5 496.34 12577588056.0 497.3442 3337125302.0 498.3462 532285213.0 991.6726 1420557258.0 992.6749 763118028.0 IONMODE: negative SPECTRUMTYPE: Centroid COMPOUND_NAME: C005 RETENTION_TIME: 41.72 NUM PEAKS: 5 218.1386 14009249.0 337.0623 88672453.0 353.0361 37061354.0 359.0443 48435582.0 375.018 29159485.0