Mercurial > repos > computational-metabolomics > dimspy_process_scans
diff test-data/report_pls_01.xt @ 1:deafa30d6570 draft
"planemo upload for repository https://github.com/computational-metabolomics/dimspy-galaxy commit 680116d0cf6a6d7246cba655452dea43269aeba4"
author | computational-metabolomics |
---|---|
date | Tue, 28 Apr 2020 17:32:59 -0400 |
parents | 62c4813fbe7a |
children |
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--- a/test-data/report_pls_01.xt Sat Apr 11 16:48:19 2020 -0400 +++ b/test-data/report_pls_01.xt Tue Apr 28 17:32:59 2020 -0400 @@ -1,73 +1,73 @@ filename event scans peaks median_rsd -batch04_B02_rep01_301.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 125 8.16474487133 -batch04_B02_rep01_301.mzML FTMS + p ESI w SIM ms [140.00-240.00] 10 118 7.91689453929 -batch04_B02_rep01_301.mzML FTMS + p ESI w SIM ms [210.00-310.00] 14 66 7.68607124086 -batch04_B02_rep01_301.mzML FTMS + p ESI w SIM ms [280.00-380.00] 14 59 7.3571823389 -batch04_B02_rep01_301.mzML FTMS + p ESI w SIM ms [350.00-450.00] 14 38 7.81073302387 -batch04_B02_rep01_301.mzML FTMS + p ESI w SIM ms [420.00-520.00] 12 31 7.11304069203 -batch04_B02_rep01_301.mzML FTMS + p ESI w SIM ms [490.00-590.00] 14 45 6.30005138853 -batch04_B02_rep01_301.mzML SIM-Stitch NA 482 7.76858437374 -batch04_B02_rep02_302.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 128 8.07600991574 -batch04_B02_rep02_302.mzML FTMS + p ESI w SIM ms [140.00-240.00] 10 125 8.03864926779 -batch04_B02_rep02_302.mzML FTMS + p ESI w SIM ms [210.00-310.00] 14 65 7.44888873374 -batch04_B02_rep02_302.mzML FTMS + p ESI w SIM ms [280.00-380.00] 14 61 6.29657260707 -batch04_B02_rep02_302.mzML FTMS + p ESI w SIM ms [350.00-450.00] 14 47 7.01271931319 -batch04_B02_rep02_302.mzML FTMS + p ESI w SIM ms [420.00-520.00] 12 31 7.3500419991 -batch04_B02_rep02_302.mzML FTMS + p ESI w SIM ms [490.00-590.00] 14 43 7.37566447385 -batch04_B02_rep02_302.mzML SIM-Stitch NA 500 7.68715459068 -batch04_B02_rep03_303.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 123 9.16935154458 -batch04_B02_rep03_303.mzML FTMS + p ESI w SIM ms [140.00-240.00] 10 118 7.55444375891 -batch04_B02_rep03_303.mzML FTMS + p ESI w SIM ms [210.00-310.00] 15 66 7.78351619427 -batch04_B02_rep03_303.mzML FTMS + p ESI w SIM ms [280.00-380.00] 14 57 6.27056997549 -batch04_B02_rep03_303.mzML FTMS + p ESI w SIM ms [350.00-450.00] 13 44 8.20380544323 -batch04_B02_rep03_303.mzML FTMS + p ESI w SIM ms [420.00-520.00] 12 32 8.26327800306 -batch04_B02_rep03_303.mzML FTMS + p ESI w SIM ms [490.00-590.00] 14 45 8.21592686599 -batch04_B02_rep03_303.mzML SIM-Stitch NA 485 8.03552677192 -batch04_QC17_rep01_262.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 79 7.03196696794 -batch04_QC17_rep01_262.mzML FTMS + p ESI w SIM ms [140.00-240.00] 11 80 7.76766561352 -batch04_QC17_rep01_262.mzML FTMS + p ESI w SIM ms [210.00-310.00] 14 61 8.15363335888 -batch04_QC17_rep01_262.mzML FTMS + p ESI w SIM ms [280.00-380.00] 14 54 6.06465919921 -batch04_QC17_rep01_262.mzML FTMS + p ESI w SIM ms [350.00-450.00] 13 38 6.24970496714 -batch04_QC17_rep01_262.mzML FTMS + p ESI w SIM ms [420.00-520.00] 13 19 7.42363265295 -batch04_QC17_rep01_262.mzML FTMS + p ESI w SIM ms [490.00-590.00] 13 38 7.08865209918 -batch04_QC17_rep01_262.mzML SIM-Stitch NA 369 7.18546096997 -batch04_QC17_rep02_263.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 77 7.67971252743 -batch04_QC17_rep02_263.mzML FTMS + p ESI w SIM ms [140.00-240.00] 11 76 7.40959870023 -batch04_QC17_rep02_263.mzML FTMS + p ESI w SIM ms [210.00-310.00] 14 61 8.07007716689 -batch04_QC17_rep02_263.mzML FTMS + p ESI w SIM ms [280.00-380.00] 15 53 6.56434715809 -batch04_QC17_rep02_263.mzML FTMS + p ESI w SIM ms [350.00-450.00] 13 43 6.01206175751 -batch04_QC17_rep02_263.mzML FTMS + p ESI w SIM ms [420.00-520.00] 13 19 6.89479622473 -batch04_QC17_rep02_263.mzML FTMS + p ESI w SIM ms [490.00-590.00] 13 41 6.82339923038 -batch04_QC17_rep02_263.mzML SIM-Stitch NA 370 7.32153403689 -batch04_QC17_rep03_264.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 76 7.06684475755 -batch04_QC17_rep03_264.mzML FTMS + p ESI w SIM ms [140.00-240.00] 11 77 7.70812724744 -batch04_QC17_rep03_264.mzML FTMS + p ESI w SIM ms [210.00-310.00] 14 62 7.27381932537 -batch04_QC17_rep03_264.mzML FTMS + p ESI w SIM ms [280.00-380.00] 14 56 6.85168250471 -batch04_QC17_rep03_264.mzML FTMS + p ESI w SIM ms [350.00-450.00] 13 44 8.1369518449 -batch04_QC17_rep03_264.mzML FTMS + p ESI w SIM ms [420.00-520.00] 13 22 9.04310387911 -batch04_QC17_rep03_264.mzML FTMS + p ESI w SIM ms [490.00-590.00] 13 44 8.17119973043 -batch04_QC17_rep03_264.mzML SIM-Stitch NA 381 7.63853989932 -batch04_S01_rep01_247.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 67 6.9449339373 -batch04_S01_rep01_247.mzML FTMS + p ESI w SIM ms [140.00-240.00] 12 74 7.56562141338 -batch04_S01_rep01_247.mzML FTMS + p ESI w SIM ms [210.00-310.00] 14 63 7.25018452732 -batch04_S01_rep01_247.mzML FTMS + p ESI w SIM ms [280.00-380.00] 15 51 6.83402648161 -batch04_S01_rep01_247.mzML FTMS + p ESI w SIM ms [350.00-450.00] 13 46 6.86311688031 -batch04_S01_rep01_247.mzML FTMS + p ESI w SIM ms [420.00-520.00] 13 30 7.56433662729 -batch04_S01_rep01_247.mzML FTMS + p ESI w SIM ms [490.00-590.00] 14 47 7.38328588939 -batch04_S01_rep01_247.mzML SIM-Stitch NA 378 7.20481827147 -batch04_S01_rep02_248.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 68 7.61402326633 -batch04_S01_rep02_248.mzML FTMS + p ESI w SIM ms [140.00-240.00] 11 74 6.91382809333 -batch04_S01_rep02_248.mzML FTMS + p ESI w SIM ms [210.00-310.00] 15 63 7.81020674999 -batch04_S01_rep02_248.mzML FTMS + p ESI w SIM ms [280.00-380.00] 14 52 6.67116706795 -batch04_S01_rep02_248.mzML FTMS + p ESI w SIM ms [350.00-450.00] 14 49 7.47235757299 -batch04_S01_rep02_248.mzML FTMS + p ESI w SIM ms [420.00-520.00] 13 29 9.18092932673 -batch04_S01_rep02_248.mzML FTMS + p ESI w SIM ms [490.00-590.00] 13 50 7.49743321145 -batch04_S01_rep02_248.mzML SIM-Stitch NA 385 7.44772817369 -batch04_S01_rep03_249.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 70 8.14059659419 -batch04_S01_rep03_249.mzML FTMS + p ESI w SIM ms [140.00-240.00] 11 72 6.70234634239 -batch04_S01_rep03_249.mzML FTMS + p ESI w SIM ms [210.00-310.00] 14 60 8.31220999647 -batch04_S01_rep03_249.mzML FTMS + p ESI w SIM ms [280.00-380.00] 15 51 6.64301911594 -batch04_S01_rep03_249.mzML FTMS + p ESI w SIM ms [350.00-450.00] 14 48 6.5996960655 -batch04_S01_rep03_249.mzML FTMS + p ESI w SIM ms [420.00-520.00] 13 30 7.38454762189 -batch04_S01_rep03_249.mzML FTMS + p ESI w SIM ms [490.00-590.00] 13 50 9.08654743835 -batch04_S01_rep03_249.mzML SIM-Stitch NA 381 7.56306270833 +batch04_B02_rep01_301.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 125 8.164744871334845 +batch04_B02_rep01_301.mzML FTMS + p ESI w SIM ms [140.00-240.00] 10 118 7.9168945392902135 +batch04_B02_rep01_301.mzML FTMS + p ESI w SIM ms [210.00-310.00] 14 66 7.686071240864687 +batch04_B02_rep01_301.mzML FTMS + p ESI w SIM ms [280.00-380.00] 14 59 7.357182338903599 +batch04_B02_rep01_301.mzML FTMS + p ESI w SIM ms [350.00-450.00] 14 38 7.810733023874823 +batch04_B02_rep01_301.mzML FTMS + p ESI w SIM ms [420.00-520.00] 12 31 7.113040692029466 +batch04_B02_rep01_301.mzML FTMS + p ESI w SIM ms [490.00-590.00] 14 45 6.300051388534287 +batch04_B02_rep01_301.mzML SIM-Stitch NA 482 7.768584373738055 +batch04_B02_rep02_302.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 128 8.076009915741135 +batch04_B02_rep02_302.mzML FTMS + p ESI w SIM ms [140.00-240.00] 10 125 8.038649267793415 +batch04_B02_rep02_302.mzML FTMS + p ESI w SIM ms [210.00-310.00] 14 65 7.448888733736318 +batch04_B02_rep02_302.mzML FTMS + p ESI w SIM ms [280.00-380.00] 14 61 6.296572607068351 +batch04_B02_rep02_302.mzML FTMS + p ESI w SIM ms [350.00-450.00] 14 47 7.012719313185922 +batch04_B02_rep02_302.mzML FTMS + p ESI w SIM ms [420.00-520.00] 12 31 7.350041999095771 +batch04_B02_rep02_302.mzML FTMS + p ESI w SIM ms [490.00-590.00] 14 43 7.375664473847967 +batch04_B02_rep02_302.mzML SIM-Stitch NA 500 7.687154590676263 +batch04_B02_rep03_303.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 123 9.169351544578852 +batch04_B02_rep03_303.mzML FTMS + p ESI w SIM ms [140.00-240.00] 10 118 7.554443758914416 +batch04_B02_rep03_303.mzML FTMS + p ESI w SIM ms [210.00-310.00] 15 66 7.783516194269935 +batch04_B02_rep03_303.mzML FTMS + p ESI w SIM ms [280.00-380.00] 14 57 6.270569975489961 +batch04_B02_rep03_303.mzML FTMS + p ESI w SIM ms [350.00-450.00] 13 44 8.203805443231127 +batch04_B02_rep03_303.mzML FTMS + p ESI w SIM ms [420.00-520.00] 12 32 8.263278003056694 +batch04_B02_rep03_303.mzML FTMS + p ESI w SIM ms [490.00-590.00] 14 45 8.21592686599179 +batch04_B02_rep03_303.mzML SIM-Stitch NA 485 8.035526771916881 +batch04_QC17_rep01_262.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 79 7.031966967936938 +batch04_QC17_rep01_262.mzML FTMS + p ESI w SIM ms [140.00-240.00] 11 80 7.7676656135167175 +batch04_QC17_rep01_262.mzML FTMS + p ESI w SIM ms [210.00-310.00] 14 61 8.153633358875439 +batch04_QC17_rep01_262.mzML FTMS + p ESI w SIM ms [280.00-380.00] 14 54 6.064659199205902 +batch04_QC17_rep01_262.mzML FTMS + p ESI w SIM ms [350.00-450.00] 13 38 6.249704967143267 +batch04_QC17_rep01_262.mzML FTMS + p ESI w SIM ms [420.00-520.00] 13 19 7.423632652950013 +batch04_QC17_rep01_262.mzML FTMS + p ESI w SIM ms [490.00-590.00] 13 38 7.08865209918093 +batch04_QC17_rep01_262.mzML SIM-Stitch NA 369 7.1854609699699745 +batch04_QC17_rep02_263.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 77 7.679712527427614 +batch04_QC17_rep02_263.mzML FTMS + p ESI w SIM ms [140.00-240.00] 11 76 7.4095987002251995 +batch04_QC17_rep02_263.mzML FTMS + p ESI w SIM ms [210.00-310.00] 14 61 8.070077166892615 +batch04_QC17_rep02_263.mzML FTMS + p ESI w SIM ms [280.00-380.00] 15 53 6.56434715809076 +batch04_QC17_rep02_263.mzML FTMS + p ESI w SIM ms [350.00-450.00] 13 43 6.0120617575086035 +batch04_QC17_rep02_263.mzML FTMS + p ESI w SIM ms [420.00-520.00] 13 19 6.894796224726954 +batch04_QC17_rep02_263.mzML FTMS + p ESI w SIM ms [490.00-590.00] 13 41 6.823399230382235 +batch04_QC17_rep02_263.mzML SIM-Stitch NA 370 7.3215340368881066 +batch04_QC17_rep03_264.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 76 7.066844757552882 +batch04_QC17_rep03_264.mzML FTMS + p ESI w SIM ms [140.00-240.00] 11 77 7.708127247443593 +batch04_QC17_rep03_264.mzML FTMS + p ESI w SIM ms [210.00-310.00] 14 62 7.273819325368941 +batch04_QC17_rep03_264.mzML FTMS + p ESI w SIM ms [280.00-380.00] 14 56 6.85168250470795 +batch04_QC17_rep03_264.mzML FTMS + p ESI w SIM ms [350.00-450.00] 13 44 8.136951844903859 +batch04_QC17_rep03_264.mzML FTMS + p ESI w SIM ms [420.00-520.00] 13 22 9.043103879106212 +batch04_QC17_rep03_264.mzML FTMS + p ESI w SIM ms [490.00-590.00] 13 44 8.17119973043174 +batch04_QC17_rep03_264.mzML SIM-Stitch NA 381 7.638539899322612 +batch04_S01_rep01_247.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 67 6.94493393729959 +batch04_S01_rep01_247.mzML FTMS + p ESI w SIM ms [140.00-240.00] 12 74 7.565621413380442 +batch04_S01_rep01_247.mzML FTMS + p ESI w SIM ms [210.00-310.00] 14 63 7.250184527315313 +batch04_S01_rep01_247.mzML FTMS + p ESI w SIM ms [280.00-380.00] 15 51 6.834026481611651 +batch04_S01_rep01_247.mzML FTMS + p ESI w SIM ms [350.00-450.00] 13 46 6.8631168803092875 +batch04_S01_rep01_247.mzML FTMS + p ESI w SIM ms [420.00-520.00] 13 30 7.5643366272894745 +batch04_S01_rep01_247.mzML FTMS + p ESI w SIM ms [490.00-590.00] 14 47 7.383285889388576 +batch04_S01_rep01_247.mzML SIM-Stitch NA 378 7.204818271465472 +batch04_S01_rep02_248.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 68 7.6140232663257965 +batch04_S01_rep02_248.mzML FTMS + p ESI w SIM ms [140.00-240.00] 11 74 6.913828093334823 +batch04_S01_rep02_248.mzML FTMS + p ESI w SIM ms [210.00-310.00] 15 63 7.810206749993205 +batch04_S01_rep02_248.mzML FTMS + p ESI w SIM ms [280.00-380.00] 14 52 6.671167067945765 +batch04_S01_rep02_248.mzML FTMS + p ESI w SIM ms [350.00-450.00] 14 49 7.47235757298909 +batch04_S01_rep02_248.mzML FTMS + p ESI w SIM ms [420.00-520.00] 13 29 9.180929326732146 +batch04_S01_rep02_248.mzML FTMS + p ESI w SIM ms [490.00-590.00] 13 50 7.4974332114539 +batch04_S01_rep02_248.mzML SIM-Stitch NA 385 7.447728173693162 +batch04_S01_rep03_249.mzML FTMS + p ESI w SIM ms [70.00-170.00] 10 70 8.140596594185261 +batch04_S01_rep03_249.mzML FTMS + p ESI w SIM ms [140.00-240.00] 11 72 6.7023463423858916 +batch04_S01_rep03_249.mzML FTMS + p ESI w SIM ms [210.00-310.00] 14 60 8.312209996466285 +batch04_S01_rep03_249.mzML FTMS + p ESI w SIM ms [280.00-380.00] 15 51 6.643019115940489 +batch04_S01_rep03_249.mzML FTMS + p ESI w SIM ms [350.00-450.00] 14 48 6.599696065499092 +batch04_S01_rep03_249.mzML FTMS + p ESI w SIM ms [420.00-520.00] 13 30 7.38454762189305 +batch04_S01_rep03_249.mzML FTMS + p ESI w SIM ms [490.00-590.00] 13 50 9.086547438353602 +batch04_S01_rep03_249.mzML SIM-Stitch NA 381 7.563062708333447