mpactr - Correction of Preprocessed MS Data
An 'R' implementation of the 'python' program Metabolomics
Peak Analysis Computational Tool ('MPACT') (Robert M. Samples,
Sara P. Puckett, and Marcy J. Balunas (2023)
<doi:10.1021/acs.analchem.2c04632>). Filters in the package
serve to address common errors in tandem mass spectrometry
preprocessing, including: (1) isotopic patterns that are
incorrectly split during preprocessing, (2) features present in
solvent blanks due to carryover between samples, (3) features
whose abundance is greater than user-defined abundance
threshold in a specific group of samples, for example media
blanks, (4) ions that are inconsistent between technical
replicates, and (5) in-source fragment ions created during
ionization before fragmentation in the tandem mass spectrometry
workflow.