Mercurial > repos > prog > lcmsmatching

annotate test-data/test_2_peaks_output.tsv @ 6:f86fec07f392 draft default tip

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planemo upload commit c397cd8a93953798d733fd62653f7098caac30ce
author prog
date Fri, 22 Feb 2019 16:04:22 -0500
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f86fec07f392 planemo upload commit c397cd8a93953798d733fd62653f7098caac30ce
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1 mz rt lcmsmatching.accession lcmsmatching.chrom.col.id lcmsmatching.chrom.col.name lcmsmatching.chrom.rt lcmsmatching.chrom.rt.unit lcmsmatching.compound.id lcmsmatching.formula lcmsmatching.mass.csv.file.id lcmsmatching.molecular.mass lcmsmatching.ms.level lcmsmatching.ms.mode lcmsmatching.name lcmsmatching.peak.attr lcmsmatching.peak.comp lcmsmatching.peak.mz lcmsmatching.peak.mztheo
f86fec07f392 planemo upload commit c397cd8a93953798d733fd62653f7098caac30ce
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2 80.04959021 339.9725632 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
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3 82.04819461 1593.540123 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
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4 83.01343941 654.9535891 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
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10 94.57331384 44.37587921 A10.pos.col12.0.8 col12 col12 0.8 min A10 J114L6M62O2 A10.pos.col12.0.8 146.10553 1 pos Blablaine [(M+2H)+(CH3CN)]++ P93Z8W419 O2 94.5733145 94.5733145
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12 99.5429594 42.19533608 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
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31 110.0599023 3.456417112 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
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32 147.112804 48 A10.pos.col12.0.8 col12 col12 0.8 min A10 J114L6M62O2 A10.pos.col12.0.8 146.10553 1 pos Blablaine [(M+H)]+ P92Z6W415 O2 147.112804 147.112804