Mercurial > repos > recetox > msmetaenhancer

diff test-data/msme_sample_out.tabular @ 14:646ef66527da draft default tip

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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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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/msme_sample_out.tabular	Thu May 29 11:21:26 2025 +0000
@@ -0,0 +1,7 @@
+comment	name	id	num_peaks	casno	formula	mw
+NIST MS# 245692, Seq# M1	Hydrogen	1	2	1333-74-0	H2	2
+NIST MS# 61316, Seq# M2	Deuterium	2	2	7782-39-0	D2	4
+Any=100 ; NIST MS# 61313, Seq# M64	Methane	3	6	74-82-8	CH4	16
+Any=100 ; NIST MS# 18807, Seq# R26	Methane	4	6	74-82-8	CH4	16
+Any=100 ; NIST MS# 18809, Seq# R27	Methane	5	6	74-82-8	CH4	16
+Any=100 ; NIST MS# 423924, Seq# R28	Methane	6	6	74-82-8	CH4	16