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docs: add WP18 CITATION.cff scaffolding for Zenodo DOI
Adds (or updates) CITATION.cff with author identity (Nathan Riley + ORCID) and a commented-out identifiers block for the Zenodo concept DOI to be filled in after the first GitHub-triggered Zenodo release. Part of WP18 step 4 (Zenodo DOIs).
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CITATION.cff

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cff-version: 1.2.0
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title: "OpenWRaw: A pure-Rust reader for Waters MassLynx .raw mass-spectrometry directories"
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message: >
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If you use OpenWRaw in your research, please cite it using the metadata
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below. Citation is encouraged and appreciated but not legally required.
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type: software
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authors:
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- family-names: Riley
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given-names: Nathan
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orcid: "https://orcid.org/0009-0004-1579-7312"
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website: "https://github.com/Sigilweaver"
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repository-code: "https://github.com/Sigilweaver/OpenWRaw"
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url: "https://sigilweaver.app"
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abstract: >
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OpenWRaw is a standalone, cross-platform reader for Waters MassLynx .raw
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acquisition directories, implemented in pure Rust with no dependency on
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vendor DLLs. Python bindings built on PyO3 integrate with Polars, PyArrow,
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and Pandas, providing access to functions, scans, and ion-mobility data
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from Waters QTof and SYNAPT instrument families.
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license: "Apache-2.0"
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license-url: "https://github.com/Sigilweaver/OpenWRaw/blob/main/LICENSE"
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date-released: "2026-05-31"
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version: "1.0.5"
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keywords:
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- mass spectrometry
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- proteomics
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- Waters
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- MassLynx
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- raw
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- ion mobility
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- bioinformatics
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- Rust
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- Python
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# Zenodo DOI - filled in after first GitHub-triggered Zenodo release.
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# After Zenodo mints the concept DOI, uncomment and replace the value below:
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# identifiers:
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# - type: doi
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# value: "10.5281/zenodo.XXXXXXXX"
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# description: "Concept DOI (all versions) - Zenodo"

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