Package: MALDIassist
Title: Mathematical Utilities for MALDI-TOF Mass Spectrometry
Version: 1.0.2
Authors@R: 
    person("Wonseok", "Oh", , "hiows97@gmail.com", role = c("aut", "cre"),
           comment = c(ORCID = "0009-0002-0687-8466"))
Description: 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>).
License: MIT + file LICENSE
URL: https://github.com/hiows/MALDIassist
BugReports: https://github.com/hiows/MALDIassist/issues
Encoding: UTF-8
Depends: R (>= 4.1.0)
Imports: Rcpp, gtools
LinkingTo: Rcpp
Suggests: colorspace, pheatmap, testthat (>= 3.0.0)
Config/testthat/edition: 3
Config/roxygen2/version: 8.0.0
NeedsCompilation: yes
Packaged: 2026-07-24 12:19:39 UTC; hiows
Author: Wonseok Oh [aut, cre] (ORCID: <https://orcid.org/0009-0002-0687-8466>)
Maintainer: Wonseok Oh <hiows97@gmail.com>
Repository: CRAN
Date/Publication: 2026-08-04 10:10:13 UTC
Built: R 4.6.0; x86_64-apple-darwin20; 2026-08-04 12:46:45 UTC; unix
Archs: MALDIassist.so.dSYM
