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r-heller merged 1 commit into from
Aug 11, 2026
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Add Zenodo DOI to citation metadata #1

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35 changes: 35 additions & 0 deletions .zenodo.json
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{
"upload_type": "software",
"title": "libscanR: Analysis and visualisation of laser-induced breakdown spectroscopy data",
"version": "0.1.0",
"publication_date": "2026-08-11",
"description": "<p>libscanR provides a vendor-neutral pipeline for importing, preprocessing, calibrating and visualising laser-induced breakdown spectroscopy measurements. It supports baseline correction and peak identification against curated atomic emission line databases, and offers both univariate and multivariate calibration, including calibration-free and Saha-Boltzmann approaches. Elemental quantification is accompanied by estimates of the limit of detection and limit of quantification. Chemometric methods such as principal component analysis, partial least squares discriminant analysis and clustering support tissue classification, alongside spatial mapping of elemental distributions. It is aimed at analytical and biomedical spectroscopy groups working with LIBS instrumentation.</p>",
"creators": [
{
"name": "Heller, Raban",
"orcid": "0000-0001-8006-9742"
}
],
"contributors": [],
"license": "mit",
"access_right": "open",
"language": "eng",
"keywords": [
"libs",
"spectroscopy",
"chemometrics",
"elemental-analysis",
"calibration",
"r-package",
"rstats"
],
"related_identifiers": [
{
"identifier": "https://github.com/CTTIR/libscanR",
"relation": "isSupplementTo",
"scheme": "url",
"resource_type": "software"
}
],
"notes": "Prepared draft. Not yet published."
}
13 changes: 13 additions & 0 deletions CITATION.cff
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cff-version: 1.2.0
message: If you use this software, please cite it as below.
type: software
title: 'libscanR: Analysis and visualisation of laser-induced breakdown spectroscopy data'
version: 0.1.0
date-released: '2026-08-11'
doi: 10.5281/zenodo.21889942
authors:
- family-names: Heller
given-names: Raban
orcid: https://orcid.org/0000-0001-8006-9742
repository-code: https://github.com/CTTIR/libscanR
license: MIT
2 changes: 2 additions & 0 deletions README.md
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# libscanR <img src="man/figures/logo.png" align="right" height="139" alt="libscanR logo" />

[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.21889942.svg)](https://doi.org/10.5281/zenodo.21889942)

<!-- badges: start -->
[![R-CMD-check](https://github.com/CTTIR/libscanR/actions/workflows/R-CMD-check.yaml/badge.svg)](https://github.com/CTTIR/libscanR/actions/workflows/R-CMD-check.yaml)
[![pkgdown](https://github.com/CTTIR/libscanR/actions/workflows/pkgdown.yaml/badge.svg)](https://cttir.github.io/libscanR/)
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