maldipickr: Dereplicate and Cherry-Pick Mass Spectrometry Spectra

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) <doi:10.3389/fmicb.2018.01294>) 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.

Version: 1.3.0
Depends: R (≥ 3.2.0)
Imports: dplyr, lifecycle, magrittr, MALDIquant, readBrukerFlexData, rlang, stats, tibble, tidyr, tidyselect, tools, utils
Suggests: knitr, rmarkdown, spelling, testthat
Published: 2023-12-14
DOI: 10.32614/CRAN.package.maldipickr
Author: Charlie Pauvert ORCID iD [aut, cre, cph], David Wylensek ORCID iD [ctb], Selina Nüchtern [ctb], Thomas Clavel ORCID iD [ctb, fnd, cph]
Maintainer: Charlie Pauvert <cpauvert at>
License: GPL (≥ 3)
NeedsCompilation: no
Language: en-US
Citation: maldipickr citation info
Materials: README NEWS
CRAN checks: maldipickr results


Reference manual: maldipickr.pdf
Vignettes: dereplicate-bruker-maldi-biotyper-spectra


Package source: maldipickr_1.3.0.tar.gz
Windows binaries: r-devel:, r-release:, r-oldrel:
macOS binaries: r-release (arm64): maldipickr_1.3.0.tgz, r-oldrel (arm64): maldipickr_1.3.0.tgz, r-release (x86_64): maldipickr_1.3.0.tgz, r-oldrel (x86_64): maldipickr_1.3.0.tgz
Old sources: maldipickr archive


Please use the canonical form to link to this page.