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# CITATION.cff file created with {cffr} R package
# See also: https://docs.ropensci.org/cffr/
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cff-version: 1.2.0
message: 'To cite package "MRManalyzeR" in publications use:'
type: software
license: MIT
title: 'MRManalyzeR: Process and Analyse Targeted LC-MS Lipidomics and Metabolomics
  Data'
version: 0.99.0
abstract: Reproducible post-acquisition processing of targeted LC-MS/MS lipidomics
  and metabolomics results exported from Waters TargetLynx or from Skyline, or supplied
  as a plain sample-by-analyte matrix. Reads the quantitative result tables, integrates
  them with sample and feature metadata, and applies configurable signal filtering
  (SNR, LOD or LOQ), blank filtering, normalisation, internal-standard and volume
  adjustment of vendor-reported concentrations, missing-value imputation and batch
  correction. Each step is an exported function acting on a struct DatasetExperiment;
  a complete workflow can additionally be driven from a single YAML configuration
  via run_MRManalyzeR(), which also renders self-contained HTML data-quality and statistical
  reports. Chromatographic peak detection, peak integration and calibration-curve
  fitting from raw mass-spectrometry data are outside its scope.
authors:
- family-names: Smith
  given-names: Matthew J.
  email: mattyjsmith123@gmail.com
  orcid: https://orcid.org/0000-0002-7357-2670
repository: https://biocstaging.r-universe.dev
repository-code: https://github.com/MJS-708/MRManalyzeR
commit: 5e00a87a8b3e948c3998aa23953087eefd06e632
url: https://github.com/MJS-708/MRManalyzeR
date-released: '2026-07-22'
contact:
- family-names: Smith
  given-names: Matthew J.
  email: mattyjsmith123@gmail.com
  orcid: https://orcid.org/0000-0002-7357-2670