Mercurial > repos > fgiacomoni > hmdb_ms_search

diff test-data/out_test03.tabular @ 14:625fa968d99a draft

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Master branch Updating - - Fxx
author fgiacomoni
date Thu, 10 Jan 2019 09:10:14 -0500
parents 4eb2de7c24d1
children 63ba1cb240b7
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--- a/test-data/out_test03.tabular	Tue Oct 02 04:59:13 2018 -0400
+++ b/test-data/out_test03.tabular	Thu Jan 10 09:10:14 2019 -0500
@@ -1,4 +1,4 @@
-ID	Query(Da)	Delta	Metabolite_Name	Cpd_MW(Da)	Formula	Adduct	Adduct_MW(Da)	HMDB_ID
+ID	Query(Da)	Delta(ppm)	Metabolite_Name	Cpd_MW(Da)	Formula	Adduct	Adduct_MW(Da)	HMDB_ID
 mz_00001	175.01	0	[UNKNOWN]	500.026076369	C19H16O14S	[M+2H+Na]	175.009949	HMDB0149376
 mz_00001	175.01	0	[UNKNOWN]	500.026076369	C19H16O14S	[M+2H+Na]	175.009949	HMDB0149375
 mz_00001	175.01	0	[UNKNOWN]	500.026076369	C19H16O14S	[M+2H+Na]	175.009949	HMDB0149391