maldipickr: Dereplicate and Cherry-Pick Mass Spectrometry Spectra (original) (raw)
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: | 1.3.1 |
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Depends: | R (≥ 3.2.0) |
Imports: | dplyr, lifecycle, magrittr, MALDIquant, readBrukerFlexData, rlang, stats, tibble, tidyr, tidyselect, tools, utils |
Suggests: | coop, knitr, rmarkdown, spelling, testthat |
Published: | 2024-09-12 |
DOI: | 10.32614/CRAN.package.maldipickr |
Author: | Charlie Pauvert [aut, cre, cph], David Wylensek [ctb], Selina Nüchtern [ctb], Thomas Clavel [ctb, fnd, cph] |
Maintainer: | Charlie Pauvert |
BugReports: | https://github.com/ClavelLab/maldipickr/issues |
License: | GPL (≥ 3) |
URL: | https://github.com/ClavelLab/maldipickr,https://clavellab.github.io/maldipickr/ |
NeedsCompilation: | no |
Language: | en-US |
Citation: | maldipickr citation info |
Materials: | README NEWS |
CRAN checks: | maldipickr results |
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