Mercurial > repos > fgiacomoni > hr2

annotate test-data/out4.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
parents 23970530a518
children
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2
23970530a518 master branch Updating with tag :CI_COMMIT_TAG - - Fxx
fgiacomoni
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1 Code mz formula hr2
23970530a518 master branch Updating with tag :CI_COMMIT_TAG - - Fxx
fgiacomoni
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2 165 144.0841 C7H13NS -0.05::(C7H13N1S1)::143.0768701
23970530a518 master branch Updating with tag :CI_COMMIT_TAG - - Fxx
fgiacomoni
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3 1664 328.1387 " C15H21NO7" 0.97::(C12H13N11O1)::327.1304541|-0.38::(C15H21N1O7)::327.1318020|0.69::(C14H18N5O3Na1)::327.1307338|-0.93::(C17H19N3O1Na2)::327.1323508|-0.68::(C10H18N9O2P1)::327.1321075|0.65::(C9H22N5O6P1)::327.1307701|-0.96::(C12H23N3O4Na1P1)::327.1323872|0.10::(C11H20N7Na2P1)::327.1313189|-0.17::(C13H25N1O2Na3P1)::327.1315985|0.85::(C19H23N1P2)::327.1305730|0.00::(C7H18N11O1Na1S1)::327.1314192|-0.28::(C9H23N5O3Na2S1)::327.1316989|0.51::(C10H25N3O1Na4S1)::327.1309103|-0.11::(C14H28N1Na1P2S1)::327.1315381|-0.21::(C10H26N5O1P1S2)::327.1316385
23970530a518 master branch Updating with tag :CI_COMMIT_TAG - - Fxx
fgiacomoni
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4 1270 276.1260 C12H21SNO4 -0.77::(C6H15N9O1Na2)::275.1194947|-0.03::(C14H18N3O1P1)::275.1187488|0.73::(C10H24N1O2Na1P2)::275.1179966|-0.41::(C12H21N1O4S1)::275.1191289|0.66::(C11H18N5Na1S1)::275.1180606|-0.99::(C9H23N3O1Na1P1S1)::275.1197140
23970530a518 master branch Updating with tag :CI_COMMIT_TAG - - Fxx
fgiacomoni
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5 961 242.0996 C9H17NO5Na -0.01::(C7H11N7O3)::241.0923373|-0.29::(C9H16N1O5Na1)::241.0926169|0.77::(C8H13N5O1Na2)::241.0915486|-0.88::(C6H18N3O2Na2P1)::241.0932020|-0.20::(C15H15N1S1)::241.0925202|-0.82::(C7H21N3P2S1)::241.0931416|0.46::(C7H19N3O2S2)::241.0918682