From e674d9665d91bc32e018000797168d5753943485 Mon Sep 17 00:00:00 2001
From: "R. Heller" <58561665+r-heller@users.noreply.github.com>
Date: Tue, 11 Aug 2026 15:51:11 +0200
Subject: [PATCH] Add Zenodo DOI to citation metadata

Adds CITATION.cff, .zenodo.json and a DOI badge for 10.5281/zenodo.21889942.
---
 .zenodo.json | 35 +++++++++++++++++++++++++++++++++++
 CITATION.cff | 13 +++++++++++++
 README.md    |  2 ++
 3 files changed, 50 insertions(+)
 create mode 100644 .zenodo.json
 create mode 100644 CITATION.cff

diff --git a/.zenodo.json b/.zenodo.json
new file mode 100644
index 0000000..f1ed8d4
--- /dev/null
+++ b/.zenodo.json
@@ -0,0 +1,35 @@
+{
+  "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."
+}
diff --git a/CITATION.cff b/CITATION.cff
new file mode 100644
index 0000000..d9def74
--- /dev/null
+++ b/CITATION.cff
@@ -0,0 +1,13 @@
+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
diff --git a/README.md b/README.md
index ca9879b..2c4d24c 100644
--- a/README.md
+++ b/README.md
@@ -1,5 +1,7 @@
 # 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/)