{ "_id": "6ad13fd729625c14e47ae3b3", "Package": "specProc", "Type": "Package", "Title": "Preprocessing Tools for Laser-Induced Breakdown Spectroscopy", "Version": "0.8.3", "Authors@R": "person(\"Christian L.\", \"Goueguel\", , \"christian.goueguel@gmail.com\",\nrole = c(\"aut\", \"cre\"),\ncomment = c(ORCID = \"https://orcid.org/0000-0003-0521-3446\"))", "Description": "Tools for exploring, preprocessing and modeling\nspectroscopic data, developed for laser-induced breakdown\nspectroscopy (LIBS) and also applicable to other techniques\nsuch as Raman, infrared, and inductively coupled plasma optical\nemission spectroscopy. Covers the workflow from raw spectra to\ncalibrated results: peak finding and fitting, wavelength\ncalibration, baseline correction, normalization and scaling,\northogonal signal correction including orthogonal partial least\nsquares (OPLS; Trygg and Wold (2002) ),\ncalibration transfer, calibration curves and figures of merit,\nand plasma diagnostics (Boltzmann and Saha-Boltzmann plots,\nStark broadening). Includes robust tools for outlier detection\nand exploration: robust principal component analysis (Hubert,\nRousseeuw and Vanden Branden (2005)\n), detection of deviating cells\n(Rousseeuw and Van den Bossche (2018)\n), PCA with cellwise\noutliers and missing values (MacroPCA; Hubert, Rousseeuw and\nVan den Bossche (2019) ),\nrobust transformations to central normality (Raymaekers and\nRousseeuw (2021) ), and\nself-organizing maps (Kohonen (1982) ).\nPreprocessing steps are also available as 'recipes' steps for\n'tidymodels' workflows. Computationally intensive steps are\nimplemented in 'C++' via 'Rcpp' and 'RcppEigen'.", "License": "MIT + file LICENSE", "Encoding": "UTF-8", "LazyData": "true", "LazyDataCompression": "xz", "VignetteBuilder": "knitr", "Config/testthat/edition": "3", "URL": "https://github.com/ChristianGoueguel/specProc,\nhttps://christiangoueguel.com/specProc/", "BugReports": "https://github.com/ChristianGoueguel/specProc/issues", "Language": "en-US", "Config/roxygen2/version": "8.1.0", "NeedsCompilation": "yes", "Packaged": { "Date": "2026-10-15 20:53:08 UTC", "User": "root" }, "Author": "Christian L. Goueguel [aut, cre] (ORCID:\n)", "Maintainer": "Christian L. 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