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
Author:	Charlie Pauvert [aut, cre, cph], David Wylensek [ctb], Selina Nüchtern [ctb], Thomas Clavel [ctb, fnd, cph]
Maintainer:	Charlie Pauvert <cpauvert at ukaachen.de>
BugReports:	https://github.com/ClavelLab/maldipickr/issues
License:	GPL (≥ 3)
URL:	https://github.com/ClavelLab/maldipickr
NeedsCompilation:	no
Language:	en-US
Citation:	maldipickr citation info
Materials:	README NEWS
CRAN checks:	maldipickr results

Documentation:

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

Downloads:

Package source:	maldipickr_1.3.0.tar.gz
Windows binaries:	r-devel: maldipickr_1.3.0.zip, r-release: maldipickr_1.3.0.zip, r-oldrel: maldipickr_1.3.0.zip
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

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