Mercurial > repos > tomnl > mspurity_createmsp

diff test-data/combineAnnotations_input_probmetab.tsv @ 12:5dd61e94d70d draft

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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit bbbcc75d51c020446fd00d76f908a6250266cfea
author tomnl
date Fri, 13 Sep 2019 11:53:46 -0400
parents df2efceff4cd
children
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--- a/test-data/combineAnnotations_input_probmetab.tsv	Thu Jun 27 12:34:09 2019 -0400
+++ b/test-data/combineAnnotations_input_probmetab.tsv	Fri Sep 13 11:53:46 2019 -0400
@@ -1,5 +1,5 @@
 name	namecustom	mz	mzmin	mzmax	rt	rtmin	rtmax	npeaks	BLANK.P.WAX.2.AMD.0.LC.MS.POSITIVE	ANIMAL.P.WAX.2.AMD.0.LC.MS.POSITIVE	ANIMAL.P.WAX.2.AMD.0.LC.MSMS.POSITIVE	isotopes	adduct	pcgroup	propmz	mpc	proba
-M106T43		104.106973271895	104.106955287478	104.106991256313	359.862889	359.826504	359.899274	2	0	0	2	[2][M]+		22	NA	NA	NA
+M116T48		104.106973271895	104.106955287478	104.106991256313	359.862889	359.826504	359.899274	2	0	0	2	[2][M]+		22	NA	NA	NA
 M107T71		104.107030464189	104.106984676963	104.107042846235	371.788312	370.845046	376.205158	3	0	3	0	[1][M]+		21	NA	NA	NA
 M108T47		104.992236979634	104.992192750892	104.99227099396	459.515063	456.526458	463.963424	6	0	5	1		[M+Na]+ 82.003	3	NA	NA	NA
 M110T48		105.089907268842	105.089885488134	105.089975689328	175.613778	173.474062	181.67533	3	0	1	2			2	NA	NA	NA