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.

Version:	0.1.0
Depends:	data.table, R (≥ 4.1.0)
Imports:	cli, ggplot2, R6, readr, stats, treemapify, viridis
Suggests:	testthat (≥ 3.0.0)
Published:	2024-09-10
DOI:	10.32614/CRAN.package.mpactr
Author:	Allison Mason [aut], Gregory Johnson [aut], Patrick Schloss [aut, cre, cph]
Maintainer:	Patrick Schloss <pschloss at umich.edu>
BugReports:	https://github.com/mums2/mpactr/issues
License:	MIT + file LICENSE
URL:	https://mums2.github.io/mpactr/, https://github.com/mums2/mpactr
NeedsCompilation:	no
Materials:	README NEWS
CRAN checks:	mpactr results

Documentation:

Reference manual:

mpactr.pdf

Downloads:

Package source:	mpactr_0.1.0.tar.gz
Windows binaries:	r-devel: mpactr_0.1.0.zip, r-release: mpactr_0.1.0.zip, r-oldrel: mpactr_0.1.0.zip
macOS binaries:	r-release (arm64): mpactr_0.1.0.tgz, r-oldrel (arm64): mpactr_0.1.0.tgz, r-release (x86_64): mpactr_0.1.0.tgz, r-oldrel (x86_64): mpactr_0.1.0.tgz

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