Mathematical Utilities for MALDI-TOF Mass Spectrometry
Overview
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).
Install
Health
- OK13 OK2026-09-08
- ERROR12 OK, 1 ERROR2026-09-07
- OK7 OK2026-08-05
Documentation
- Help pages
- 24includes a package overview page
- Examples that run
- 96%22 run in a plain check (2 of them under a condition) · 1 only when donttest examples are enabled (R CMD check --as-cran)
- Exported functions with examples
- 100%
- Documented parameters
- 97%
- Return-value docs
- 100%
- Help pages citing references
- 0%
Downloads
Repository
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Dependencies
Code & Tests
People & History
- 1.0.2Latest2026-08-04 · current release
- RR 4.6.0 released · 2026-04-24
Package metadata
- First published
- 2026-08-04
- Total releases
- 1 / 1 yrs
- License
- MIT + file LICENSE OSI
- Minimum R
- ≥ 4.1.0
- Download size
- 249 KB
Cite
Cite this package
Run in R for the authors' entry:
citation("MALDIassist")The package provides a citation file, so citation() returns the authors' own entry.
It points to 10.5281/zenodo.21492329.
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From data release v2026-10-18, which the citation names so these numbers can be found later. More on citing and the projects behind them.