MALDIassist: Mathematical Utilities for MALDI-TOF Mass Spectrometry

Supports matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry workflows from raw Bruker spectra to cohort-level peak matrices. Provides spectrum loading, Savitzky-Golay smoothing, baseline correction (SNIP and TopHat), Gaussian kernel-regression-based peak detection including shoulder peaks, peak-quality assessment, filtering, and cohort feature analysis. Computationally intensive routines are implemented in C++ using 'Rcpp'. The implemented signal-processing methods include those described by Savitzky and Golay (1964) <doi:10.1021/ac60214a047>, Ryan et al. (1988) <doi:10.1016/0168-583X(88)90063-8>, Stanford, Bagley and Solomon (2016) <doi:10.1186/s12953-016-0107-8>, and Nadaraya-Watson kernel regression (Nadaraya (1964) <doi:10.1137/1109020>; Watson (1964) <https://www.jstor.org/stable/25049340>).

Version:	1.0.2
Depends:	R (≥ 4.1.0)
Imports:	Rcpp, gtools
LinkingTo:	Rcpp
Suggests:	colorspace, pheatmap, testthat (≥ 3.0.0)
Published:	2026-08-04
DOI:	10.32614/CRAN.package.MALDIassist
Author:	Wonseok Oh [aut, cre]
Maintainer:	Wonseok Oh <hiows97 at gmail.com>
BugReports:	https://github.com/hiows/MALDIassist/issues
License:	MIT + file LICENSE
URL:	https://github.com/hiows/MALDIassist
NeedsCompilation:	yes
Citation:	MALDIassist citation info
CRAN checks:	MALDIassist results

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