Mercurial > repos > tomnl > assess_purity_msms

annotate test-data/spectra_matching_xcms_hits.tsv @ 0:b6b051e7a5ef draft

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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit f9591483bef88aef71a9f0cc0ffc75cf6eab480c
author tomnl
date Mon, 05 Mar 2018 10:08:14 -0500
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b6b051e7a5ef planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit f9591483bef88aef71a9f0cc0ffc75cf6eab480c
tomnl
parents:
diff changeset
1 "grpid" "best_name" "best_median_score" "best_median_perc_mtch" "best_median_match" "all_names" "all_pids" "all_lids" "all_scores" "numb_unique_scans"
b6b051e7a5ef planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit f9591483bef88aef71a9f0cc0ffc75cf6eab480c
tomnl
parents:
diff changeset
2 14 "Uracil" "0.902872587543067" "0.2" "1" "Uracil" "499" "37347" "0.903" "1"
b6b051e7a5ef planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit f9591483bef88aef71a9f0cc0ffc75cf6eab480c
tomnl
parents:
diff changeset
3 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"
b6b051e7a5ef planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit f9591483bef88aef71a9f0cc0ffc75cf6eab480c
tomnl
parents:
diff changeset
4 72 "Oxypurinol" "0.726640102125439" "0.25" "2" "Oxypurinol" "490" "37706" "0.727" "1"
b6b051e7a5ef planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit f9591483bef88aef71a9f0cc0ffc75cf6eab480c
tomnl
parents:
diff changeset
5 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"