diff test-data/findrecalseries/selected_series.tabular @ 2:39a642fc9638 draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit c6e502d8af84750003e4ba001c61817acedd1896
author recetox
date Fri, 13 Sep 2024 10:09:36 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/findrecalseries/selected_series.tabular	Fri Sep 13 10:09:36 2024 +0000
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+"Series"	"total_abundance"	"total_series_length"	"peak_proximity"	"peak_distance_proximity"	"series_id"	"sum_score"
+"O_H_7"	437.136255030871	504.562	129.612788237483	2723.59808058946	"O_H_7 O2_H_6 O2_H_11"	3794.90912385781
+"O2_H_6"	437.136255030871	504.562	129.612788237483	2723.59808058946	"O_H_7 O2_H_6 O2_H_11"	3794.90912385781
+"O2_H_11"	437.136255030871	504.562	129.612788237483	2723.59808058946	"O_H_7 O2_H_6 O2_H_11"	3794.90912385781
+"O4_H_11"	943.304144088114	392.438	134.36084248065	1826.47532994759	"O2_H_6 O2_H_11 O4_H_11"	3296.57831651636
+"O3_H_12"	330.037060987448	364.407	135.12153276257	1826.47538570915	"O2_H_6 O3_H_12 O2_H_11"	2656.04097945917