Mercurial > repos > workflow4metabolomics > influx_si_data_manager
diff test-data/galaxy_test.tsv @ 0:6daf2eaa1509 draft
planemo upload for repository https://github.com/MetaboHUB-MetaToul-FluxoMet/tools_w4m/tree/main/tools/influx_data_manager commit 6e361ee7b6e2ebc70e1c3033b88e316d0854ff6b
| author | workflow4metabolomics |
|---|---|
| date | Fri, 09 Feb 2024 08:19:16 +0000 |
| parents | |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/galaxy_test.tsv Fri Feb 09 08:19:16 2024 +0000 @@ -0,0 +1,30 @@ +sample metabolite derivative isotopologue isotopic_inchi area corrected_area isotopologue_fraction residuum mean_enrichment +Sample_1 Fum__f0,1 0 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+/a(C4+0) 376000 379808.0495 0.411686654 0 0.28976599 +Sample_1 Fum__f0,1 1 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+/a(C1+1),(C3+0) 235000 236670.2676 0.256534822 0 0.28976599 +Sample_1 Fum__f3,4 2 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+/a(C2+1),(C2+0) 127000 124721.3958 0.135189694 0 0.28976599 +Sample_1 Fum__f3,4 3 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+/a(C3+1),(C1+0) 143000 142264.7934 0.15420557 -3.16E-17 0.28976599 +Sample_1 Fum__f3,4 4 InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+/a(C4+1) 40000 39101.34875 0.04238326 7.90E-18 0.28976599 +Sample_1 OA 0 /a(C4+0) 0 0 +Sample_1 OA 1 /a(C1+1),(C3+0) 0 0 +Sample_1 OA 2 /a(C2+1),(C2+0) 0 0 +Sample_1 OA 3 /a(C3+1),(C1+0) 0 0 +Sample_1 OA 4 /a(C4+1) 0 0 +Sample_1 aKG 0 /a(C5+0) 761000 770757.2823 0.597105938 -2.00E-07 0.152393093 +Sample_1 aKG 1 /a(C1+1),(C4+0) 95100 94408.21105 0.073138074 -1.12E-07 0.152393093 +Sample_1 aKG 2 /a(C2+1),(C3+0) 391000 387815.2021 0.300440574 3.24E-05 0.152393093 +Sample_1 aKG 3 /a(C3+1),(C2+0) 39300 37840.97105 0.029315414 1.10E-05 0.152393093 +Sample_1 aKG 4 /a(C4+1),(C1+0) 0 0 0 -0.003157789 0.152393093 +Sample_1 aKG 5 /a(C5+1) 0 0 0 -0.000308026 0.152393093 +Sample_1 G3P 0 /a(C3+0) 715000 720817.8432 0.503717946 -8.14E-17 0.230797296 +Sample_1 G3P 1 /a(C1+1),(C2+0) 557000 560128.1628 0.39142567 8.14E-17 0.230797296 +Sample_1 G3P 2 /a(C2+1),(C1+0) 24800 19465.7317 0.013602935 -5.09E-17 0.230797296 +Sample_1 G3P 3 /a(C3+1) 133000 130583.2255 0.091253449 1.22E-16 0.230797296 +Sample_1 2/3PG 0 /a(C3+0) 1430000 1441469.898 0.269515204 0 0.350613298 +Sample_1 2/3PG 1 /a(C1+1),(C2+0) 2920000 2940779.044 0.549844755 0 0.350613298 +Sample_1 2/3PG 2 /a(C2+1),(C1+0) 226000 213534.0151 0.039924985 1.09E-17 0.350613298 +Sample_1 2/3PG 3 /a(C3+1) 765000 752597.6843 0.140715057 0 0.350613298 +Sample_1 E4P 0 /a(C4+0) 854 863.1453281 0.041336917 2.43E-14 0.38172391 +Sample_1 E4P 1 /a(C1+1),(C3+0) 10200 10307.12055 0.493618598 -1.05E-14 0.38172391 +Sample_1 E4P 2 /a(C2+1),(C2+0) 7760 7810.814464 0.374067934 1.51E-14 0.38172391 +Sample_1 E4P 3 /a(C3+1),(C1+0) 1730 1644.671968 0.078765031 -2.33E-14 0.38172391 +Sample_1 E4P 4 /a(C4+1) 320 254.9855408 0.01221152 3.42E-14 0.38172391 \ No newline at end of file