Mercurial > repos > fgiacomoni > bih4maconda

diff test-data/outTab_test03.tabular @ 1:2744d20c830a draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
" master branch Updating with tag :CI_COMMIT_TAG - - Fxx"
author fgiacomoni
date Fri, 27 Nov 2020 11:21:58 +0000
parents de13e2c45971
children
line wrap: on
line diff
--- a/test-data/outTab_test03.tabular	Tue Jan 21 15:49:00 2020 -0500
+++ b/test-data/outTab_test03.tabular	Fri Nov 27 11:21:58 2020 +0000
@@ -1,10 +1,10 @@
 _MESURED_MONOISOTOPIC_MASS_	_PPM_ERROR_	_COMPUTED_MONOISOTOPIC_MASS_	_ANNOTATION_NAME_	_ANNOTATION_TYPE_	_ANNOTATION_IN_NEG_MODE_	_ANNOTATION_IN_POS_MODE_	_ANNOTATION_FORMULA_
-44.9981010714674	2.27787390043874	44.9982036	"Formic acid"	unknown	[M-H]-	NA	NA
-44.9981024029652	2.24898372588555	44.9982036	"Formic acid"	unknown	[M-H]-	NA	NA
-44.998112256197	2.02897400406895	44.9982036	"Formic acid"	unknown	[M-H]-	NA	NA
+44.9981010714674	2.3	44.9982036	"Formic acid"	unknown	[M-H]-	NA	NA
+44.9981024029652	2.2	44.9982036	"Formic acid"	unknown	[M-H]-	NA	NA
+44.998112256197	2.0	44.9982036	"Formic acid"	unknown	[M-H]-	NA	NA
 57.034452592233	0	0	NA	NA	NA	NA	NA
-59.0137157156687	2.33674491307088	59.0138536	"Acetic Acid"	Solvent	[M-H]-	NA	NA
-59.0137129234658	2.38419162309737	59.0138536	"Acetic Acid"	Solvent	[M-H]-	NA	NA
+59.0137157156687	2.3	59.0138536	"Acetic Acid"	Solvent	[M-H]-	NA	NA
+59.0137129234658	2.4	59.0138536	"Acetic Acid"	Solvent	[M-H]-	NA	NA
 61.9882231262141	0	0	NA	NA	NA	NA	NA
 71.0137007829942	0	0	NA	NA	NA	NA	NA
 71.0136946160437	0	0	NA	NA	NA	NA	NA
@@ -13,10 +13,10 @@
 74.0246025925501	0	0	NA	NA	NA	NA	NA
 75.0086106690331	0	0	NA	NA	NA	NA	NA
 78.9187053591132	0	0	NA	NA	NA	NA	NA
-78.9589162539509	1.77687342552627	78.9590566	"Phosphoric acid"	unknown	[M-H3O]-	NA	NA
-79.9572959941509	0.870464654095999	79.9573656	"Sulphuric acid"	unknown	[M-H2O]-	NA	NA
-79.9572310694573	1.68214929658035	79.9573656	"Sulphuric acid"	unknown	[M-H2O]-	NA	NA
-79.9572880455522	0.970518159092524	79.9573656	"Sulphuric acid"	unknown	[M-H2O]-	NA	NA
+78.9589162539509	1.8	78.9590566	"Phosphoric acid"	unknown	[M-H3O]-	NA	NA
+79.9572959941509	0.9	79.9573656	"Sulphuric acid"	unknown	[M-H2O]-	NA	NA
+79.9572310694573	1.7	79.9573656	"Sulphuric acid"	unknown	[M-H2O]-	NA	NA
+79.9572880455522	1.0	79.9573656	"Sulphuric acid"	unknown	[M-H2O]-	NA	NA
 80.9166655796872	0	0	NA	NA	NA	NA	NA
 80.9651104476057	0	0	NA	NA	NA	NA	NA
 80.9651013882625	0	0	NA	NA	NA	NA	NA
@@ -36,7 +36,7 @@
 93.0345431859462	0	0	NA	NA	NA	NA	NA
 94.0379172370326	0	0	NA	NA	NA	NA	NA
 94.9249599715485	0	0	NA	NA	NA	NA	NA
-94.9807499641041	0.953877496589996	94.9808406	Methanesulfonate	unknown	[M-H]-	NA	NA
+94.9807499641041	1.0	94.9808406	Methanesulfonate	unknown	[M-H]-	NA	NA
 95.0138235296212	0	0	NA	NA	NA	NA	NA
 96.9600605566796	0	0	NA	NA	NA	NA	NA
 96.9600063916444	0	0	NA	NA	NA	NA	NA
@@ -145,7 +145,7 @@
 125.097165060709	0	0	NA	NA	NA	NA	NA
 125.994159276515	0	0	NA	NA	NA	NA	NA
 126.019639568209	0	0	NA	NA	NA	NA	NA
-126.904905319881	0.947953900574352	126.9050256	"Iodine anion (Iodide)"	unknown	[M]-	NA	NA
+126.904905319881	0.9	126.9050256	"Iodine anion (Iodide)"	unknown	[M]-	NA	NA
 126.987197831375	0	0	NA	NA	NA	NA	NA
 127.040071736318	0	0	NA	NA	NA	NA	NA
 127.051317791524	0	0	NA	NA	NA	NA	NA