annotate test-data/CreatineMsMs.out @ 0:963722c4e1da draft default tip

"planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/blob/master/tools/genform/ commit d73f3664336def878419e019920d209f3bfb4fa9"
author workflow4metabolomics
date Tue, 08 Oct 2019 05:51:40 -0400
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963722c4e1da "planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/blob/master/tools/genform/ commit d73f3664336def878419e019920d209f3bfb4fa9"
workflow4metabolomics
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1 C4H9N3O2 2 132.07675 -0.8 96.933 100.000 96.933
963722c4e1da "planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/blob/master/tools/genform/ commit d73f3664336def878419e019920d209f3bfb4fa9"
workflow4metabolomics
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2 111.02010 0.04273602 -H7N 4.5 111.01890 -10.8
963722c4e1da "planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics/blob/master/tools/genform/ commit d73f3664336def878419e019920d209f3bfb4fa9"
workflow4metabolomics
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3 132.07730 1.00000000 no loss 1.5 132.07675 -4.1