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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 "specProc" in publications use:'
type: software
license: MIT
title: 'specProc: Preprocessing Tools for Laser-Induced Breakdown Spectroscopy'
version: 0.8.3
abstract: 'Tools for exploring, preprocessing and modeling spectroscopic data, developed
  for laser-induced breakdown spectroscopy (LIBS) and also applicable to other techniques
  such as Raman, infrared, and inductively coupled plasma optical emission spectroscopy.
  Covers the workflow from raw spectra to calibrated results: peak finding and fitting,
  wavelength calibration, baseline correction, normalization and scaling, orthogonal
  signal correction including orthogonal partial least squares (OPLS; Trygg and Wold
  (2002) <https://doi.org/10.1002/cem.695>), calibration transfer, calibration curves
  and figures of merit, and plasma diagnostics (Boltzmann and Saha-Boltzmann plots,
  Stark broadening). Includes robust tools for outlier detection and exploration:
  robust principal component analysis (Hubert, Rousseeuw and Vanden Branden (2005)
  <https://doi.org/10.1198/004017004000000563>), detection of deviating cells (Rousseeuw
  and Van den Bossche (2018) <https://doi.org/10.1080/00401706.2017.1340909>), PCA
  with cellwise outliers and missing values (MacroPCA; Hubert, Rousseeuw and Van den
  Bossche (2019) <https://doi.org/10.1080/00401706.2018.1562989>), robust transformations
  to central normality (Raymaekers and Rousseeuw (2021) <https://doi.org/10.1007/s10994-021-05960-5>),
  and self-organizing maps (Kohonen (1982) <https://doi.org/10.1007/BF00337288>).
  Preprocessing steps are also available as ''recipes'' steps for ''tidymodels'' workflows.
  Computationally intensive steps are implemented in ''C++'' via ''Rcpp'' and ''RcppEigen''.'
authors:
- family-names: Goueguel
  given-names: Christian L.
  email: christian.goueguel@gmail.com
  orcid: https://orcid.org/0000-0003-0521-3446
repository: https://cran.r-universe.dev
repository-code: https://github.com/ChristianGoueguel/specProc
commit: 4b6fcf045e304d415d7e39528d19c3587b69dceb
url: https://christiangoueguel.com/specProc/
date-released: '2026-10-15'
contact:
- family-names: Goueguel
  given-names: Christian L.
  email: christian.goueguel@gmail.com
  orcid: https://orcid.org/0000-0003-0521-3446