Mercurial > repos > prog > lcmsmatching

annotate test-data/test_1_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 lcmsmatching.accession lcmsmatching.chrom.col.id lcmsmatching.chrom.col.name lcmsmatching.chrom.rt lcmsmatching.compound.id lcmsmatching.formula lcmsmatching.mass.csv.file.id lcmsmatching.molecular.mass lcmsmatching.ms.level lcmsmatching.ms.mode lcmsmatching.msprecmz 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 U761.pos.col12.1.32 col12 col12 1.32 U761 J16L6M62O U761.pos.col12.1.32 122.04801 1 pos 123.055289 Coquelicol;Paquerettol [(M+H)-(NHCO)]+ P9Z5W46 O0 80.049475 80.049475
f86fec07f392 planemo upload commit c397cd8a93953798d733fd62653f7098caac30ce
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3 80.04959021 U761.pos.colpp.0.95 colpp colpp 0.95 U761 J16L6M62O U761.pos.colpp.0.95 122.04801 1 pos 123.055289 Coquelicol;Paquerettol [(M+H)-(NHCO)]+ P9Z5W46 O0 80.049475 80.049475
f86fec07f392 planemo upload commit c397cd8a93953798d733fd62653f7098caac30ce
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4 80.04959021 U761.pos.colzz2.4.24 colzz2 colzz2 4.24 U761 J16L6M62O U761.pos.colzz2.4.24 122.04801 1 pos 123.055289 Coquelicol;Paquerettol [(M+H)-(NHCO)]+ P9Z5W46 O0 80.049475 80.049475
f86fec07f392 planemo upload commit c397cd8a93953798d733fd62653f7098caac30ce
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5 80.04959021 U761.pos.colzz3.4.3 colzz3 colzz3 4.3 U761 J16L6M62O U761.pos.colzz3.4.3 122.04801 1 pos 123.055289 Coquelicol;Paquerettol [(M+H)-(NHCO)]+ P9Z5W46 O0 80.049475 80.049475
f86fec07f392 planemo upload commit c397cd8a93953798d733fd62653f7098caac30ce
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6 80.04959021 U761.pos.hcoltt.2.5 hcoltt hcoltt 2.5 U761 J16L6M62O U761.pos.hcoltt.2.5 122.04801 1 pos 123.055289 Coquelicol;Paquerettol [(M+H)-(NHCO)]+ P9Z5W46 O0 80.049475 80.049475
f86fec07f392 planemo upload commit c397cd8a93953798d733fd62653f7098caac30ce
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8 83.01343941 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
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9 84.05585475 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
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10 87.05536392 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
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11 89.50682004 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
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12 90.97680734 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
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13 92.98092987 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
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14 94.57331384 A10.pos.col12.0.8 col12 col12 0.8 A10 J114L6M62O2 A10.pos.col12.0.8 146.10553 1 pos NA Blablaine [(M+2H)+(CH3CN)]++ P93Z8W419 O2 94.5733145 94.5733145
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15 94.57331384 A10.pos.colAA.1.58 colAA colAA 1.58 A10 J114L6M62O2 A10.pos.colAA.1.58 146.10553 1 pos NA Blablaine';Blablaine [(M+2H)+(CH3CN)]++ P93Z8W419 O2 94.5733145 94.5733145
f86fec07f392 planemo upload commit c397cd8a93953798d733fd62653f7098caac30ce
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16 94.57331384 A10.pos.somecol.8.97 somecol somecol 8.97 A10 J114L6M62O2 A10.pos.somecol.8.97 146.10553 1 pos NA Blablaine [(M+2H)+(CH3CN)]++ P93Z8W419 O2 94.5733145 94.5733145
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17 97.07602789 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
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18 99.5429594 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
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19 101.0708987 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
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