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: 0.2.1 Depends: R (≥ 3.5.0) Imports: cli, data.table, ggplot2, R6, Rcpp, readr, stats, treemapify, viridis LinkingTo: Rcpp Suggests: knitr, rmarkdown, testthat (≥ 3.0.0), tidyverse, plotly, Hmisc, corrplot, ggdendro, ggtext Published: 2025-03-29 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: GPL (≥ 3) URL: https://www.mums2.org/mpactr/, https://github.com/mums2/mpactr NeedsCompilation: yes Citation: mpactr citation info Materials: README NEWS CRAN checks: mpactr results Documentation: Downloads: Linking:Please use the canonical form https://CRAN.R-project.org/package=mpactr to link to this page.
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