United Formula Annotation (UFA) for HRMS Data Processing

A pipeline to annotate chromatography peaks from the 'IDSL.IPA' workflow 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 .


Reference manual

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install.packages("IDSL.UFA")

2.0 by Dinesh Barupal, 3 years ago


https://github.com/idslme/idsl.ufa


Report a bug at https://github.com/idslme/idsl.ufa/issues


Browse source code at https://github.com/cran/IDSL.UFA


Authors: Sadjad Fakouri-Baygi [aut] , Dinesh Barupal [cre, aut]


Documentation:   PDF Manual  


MIT + file LICENSE license


Imports IDSL.IPA, readxl

Suggests GA


Imported by IDSL.UFAx.


See at CRAN