IDSL.UFA

United Formula Annotation (UFA) for HRMS Data Processing

CRAN Package

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 annotation. The 'IDSL.UFA' methods was described in doi:10.1021/acs.analchem.2c00563 .

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