IDSL.UFA

cranv2.0

United Formula Annotation (UFA) for HRMS Data Processing. A pipeline to annotate chromatography peaks from the 'IDSL.IPA' workflow <doi:10.1021/acs.jproteome.2c00120> with molecular formulas of a prioritized chemical space using an isotopic profile matching approach. The 'IDSL.UFA' workflow only requires mass spectrometry level 1 (MS1) data for formula ann

License MIT + file LICENSE0 versions1 maintainers2 deps75 weekly dl
idslme/idsl.ufa
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First published · 2023-05-18 22:15:21

Last updated · 2023-05-18T20:20:02+00:00