Mercurial > repos > recetox > msmetaenhancer

annotate test-data/msme_sample_out.tabular @ 14:646ef66527da draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msmetaenhancer commit 187cd20cfa1502639fa2678dbcd69d2f3158d436
author recetox
date Thu, 29 May 2025 11:21:26 +0000
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children 560053b805d2
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646ef66527da planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msmetaenhancer commit 187cd20cfa1502639fa2678dbcd69d2f3158d436
recetox
parents:
diff changeset
1 comment name id num_peaks casno formula mw
646ef66527da planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msmetaenhancer commit 187cd20cfa1502639fa2678dbcd69d2f3158d436
recetox
parents:
diff changeset
2 NIST MS# 245692, Seq# M1 Hydrogen 1 2 1333-74-0 H2 2
646ef66527da planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msmetaenhancer commit 187cd20cfa1502639fa2678dbcd69d2f3158d436
recetox
parents:
diff changeset
3 NIST MS# 61316, Seq# M2 Deuterium 2 2 7782-39-0 D2 4
646ef66527da planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msmetaenhancer commit 187cd20cfa1502639fa2678dbcd69d2f3158d436
recetox
parents:
diff changeset
4 Any=100 ; NIST MS# 61313, Seq# M64 Methane 3 6 74-82-8 CH4 16
646ef66527da planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msmetaenhancer commit 187cd20cfa1502639fa2678dbcd69d2f3158d436
recetox
parents:
diff changeset
5 Any=100 ; NIST MS# 18807, Seq# R26 Methane 4 6 74-82-8 CH4 16
646ef66527da planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msmetaenhancer commit 187cd20cfa1502639fa2678dbcd69d2f3158d436
recetox
parents:
diff changeset
6 Any=100 ; NIST MS# 18809, Seq# R27 Methane 5 6 74-82-8 CH4 16
646ef66527da planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msmetaenhancer commit 187cd20cfa1502639fa2678dbcd69d2f3158d436
recetox
parents:
diff changeset
7 Any=100 ; NIST MS# 423924, Seq# R28 Methane 6 6 74-82-8 CH4 16