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diff test-data/report_pls_01.xt @ 1:ea439d85b6c5 draft

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"planemo upload for repository https://github.com/computational-metabolomics/dimspy-galaxy commit 680116d0cf6a6d7246cba655452dea43269aeba4"
author computational-metabolomics
date Tue, 28 Apr 2020 17:14:29 -0400
parents 5c545e1f0fa2
children
line wrap: on
line diff
--- a/test-data/report_pls_01.xt	Sat Apr 11 16:45:45 2020 -0400
+++ b/test-data/report_pls_01.xt	Tue Apr 28 17:14:29 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