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view test-data/spectra_matching_xcms_hits.tsv @ 22:c8b34df46dae draft

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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 04023134d8f28e85927ca293373c506484149ead-dirty
author tomnl
date Fri, 01 Jun 2018 13:41:15 -0400
parents dc00b7222a3c
children
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"grpid"	"best_name"	"best_median_score"	"best_median_perc_mtch"	"best_median_match"	"all_names"	"all_pids"	"all_lids"	"all_scores"	"numb_unique_scans"
14	"Uracil"	"0.902872587543067"	"0.2"	"1"	"Uracil"	"499"	"37347"	"0.903"	"1"
47	"Allopurinol"	"0.951749028095478"	"0.104166666666667"	"1"	"Allopurinol, Allopurinol, Allopurinol, Allopurinol, Allopurinol, Allopurinol"	"1577, 1577, 1577, 1577, 1577, 1577"	"12648, 12649, 12650, 12651, 12652, 12653"	"0.993, 0.993, 0.981, 0.923, 0.803, 0.664"	"1"
72	"Oxypurinol"	"0.726640102125439"	"0.25"	"2"	"Oxypurinol"	"490"	"37706"	"0.727"	"1"
75	"L-Histidine"	"0.71126945347125"	"0.4"	"2"	"L-Histidine, L-Histidine, L-Histidine"	"247, 247, 247"	"37625, 37339, 37338"	"0.868, 0.711, 0.627"	"1"