Mercurial > repos > fgiacomoni > hr2

diff test-data/out6.tabular @ 3:78afd7f439f3 draft default tip

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master branch Updating with tag :CI_COMMIT_TAG - - Fxx
author fgiacomoni
date Wed, 15 Feb 2023 15:57:49 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out6.tabular	Wed Feb 15 15:57:49 2023 +0000
@@ -0,0 +1,4 @@
+id	mz	formula	hr2
+01	257.1704	"[13]C11 H20 O5 N"	-0.10::(iC11H19N1O5)::256.1632259|0.03::(iC12H21O3P1)::256.1630892
+02	305.1373	"[13]C11 H20 O6 N S"	0.89::(iC13H13N3O5)::304.1291334|-0.19::(iC11H19N1O6S1)::304.1302113|-0.05::(iC12H21O4P1S1)::304.1300745
+03	344.2046	"[13]C13 H23 O6 N4"	0.79::(iC7H20N12O4)::343.1965311|-0.22::(iC13H22N4O6)::343.1975474|0.93::(iC8H22N11O2P1)::343.1963943|-0.09::(iC14H24N3O4P1)::343.1974106|0.05::(iC15H26N2O2P2)::343.1972739|0.19::(iC16H28N1P3)::343.1971372|0.25::(iC13H30O5S2)::343.1970783