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maldipickr  

Dereplicate and Cherry-Pick Mass Spectrometry Spectra
View on CRAN: Click here


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

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

Install by package version:
library("remotes")
install_version("maldipickr", "1.3.1")



Attach the package and use:
library("maldipickr")
Maintained by
Charlie Pauvert
[Scholar Profile | Author Map]
All associated links for this package
First Published: 2023-09-07
Latest Update: 2024-09-12
Description:
Convenient wrapper functions for the analysis of matrix-assisted laser desorption/ionization-time-of-flight (MALDI-TOF) spectra data in order to select only representative spectra (also called cherry-pick). The package covers the preprocessing and dereplication steps (based on Strejcek, Smrhova, Junkova and Uhlik (2018) ) needed to cluster MALDI-TOF spectra before the final cherry-picking step. It enables the easy exclusion of spectra and/or clusters to accommodate complex cherry-picking strategies. Alternatively, cherry-picking using taxonomic identification MALDI-TOF data is made easy with functions to import inconsistently formatted reports.
How to cite:
Charlie Pauvert (2023). maldipickr: Dereplicate and Cherry-Pick Mass Spectrometry Spectra. R package version 1.3.1, https://cran.r-project.org/web/packages/maldipickr. Accessed 05 Mar. 2026.
Previous versions and publish date:
1.1.1 (2023-09-07 20:10), 1.2.0 (2023-10-25 14:30), 1.3.0 (2023-12-14 13:30)
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Complete documentation for maldipickr
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