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mpactr  

Correction of Preprocessed MS Data
View on CRAN: Click here


Download and install mpactr package within the R console
Install from CRAN:
install.packages("mpactr")

Install from Github:
library("remotes")
install_github("cran/mpactr")

Install by package version:
library("remotes")
install_version("mpactr", "0.1.0")



Attach the package and use:
library("mpactr")
Maintained by
Patrick Schloss
[Scholar Profile | Author Map]
All associated links for this package
First Published: 2024-09-10
Latest Update: 2024-09-10
Description:
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.
How to cite:
Patrick Schloss (2024). mpactr: Correction of Preprocessed MS Data. R package version 0.1.0, https://cran.r-project.org/web/packages/mpactr
Previous versions and publish date:
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