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
Roxygen: list(markdown = TRUE)
Config/roxygen2/version: 8.0.0
Repository: https://hiows.r-universe.dev
Date/Publication: 2026-07-24 13:45:00 UTC
RemoteUrl: https://github.com/hiows/maldiassist
RemoteRef: HEAD
RemoteSha: e1779d9cf68b76158ed19bea70ab8ebfc886345d
NeedsCompilation: yes
Packaged: 2026-10-04 09:47:37 UTC; root
Author: Wonseok Oh [aut, cre] (ORCID: <https://orcid.org/0009-0002-0687-8466>)
Maintainer: Wonseok Oh <hiows97@gmail.com>