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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>).

README

Example data included for package documentation and tests.

bruker_sample/
  One Bruker flex spectrum (sample 9) from the PXD058284 MALDI-TOF cohort.
  Source dataset: PRIDE project PXD058284
  https://www.ebi.ac.uk/pride/archive/projects/PXD058284

  Included as a minimal example only; not intended as a redistributable
  standalone dataset beyond this package context.

Versions across snapshots

VersionRepositoryFileSize
1.0.2 rolling linux/jammy R-4.5 MALDIassist_1.0.2.tar.gz 504.6 KiB
1.0.2 rolling linux/noble R-4.5 MALDIassist_1.0.2.tar.gz 507.1 KiB
1.0.2 rolling source/ R- MALDIassist_1.0.2.tar.gz 249.4 KiB
1.0.2 latest linux/jammy R-4.5 MALDIassist_1.0.2.tar.gz 504.6 KiB
1.0.2 latest linux/noble R-4.5 MALDIassist_1.0.2.tar.gz 507.1 KiB
1.0.2 latest source/ R- MALDIassist_1.0.2.tar.gz 249.4 KiB
1.0.2 2026-04-23 source/ R- MALDIassist_1.0.2.tar.gz 0 B

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