README.md

metadata

pretty_name: TEXtal
license: other
license_name: per-paper
license_link: https://github.com/alstonlo/textal#licence

TEXtal data

Crystallization procedures extracted from the open-access papers of 50,405 CSD entries, with the texts, CIFs and chemical schemes of the papers under a Creative Commons licence. See https://github.com/alstonlo/textal.

• entries.parquet: one row per CSD refcode, with its extracted record (extraction_json).
• papers.parquet: one row per paper, with its bibliography, authors, licence and quoted passages.
• snapshot.json: counts per extraction status, collection and journal.
• texts.tar: the folder texts/, where texts/<NN>/<PMCID>.json.gz is the text of one paper and of its supplementary documents, as Markdown; NN is the last two digits of the PMCID.
• files.tar: the folder files/, where files/<NN>/<PMCID>.tar.gz holds the publisher's CIFs and chemical schemes of one paper, with a manifest.

Download the dataset and unpack the two folders:

hf download alstonlo/textal-data --repo-type dataset --local-dir data/textal
cd data/textal && tar -xf texts.tar && tar -xf files.tar && rm texts.tar files.tar

License

Each paper keeps its licence, which is in licenses_json of papers.parquet. The texts, CIFs and chemical schemes of a paper are included only if it is under a Creative Commons licence; when you use them, credit the paper's authors, title, journal and DOI and follow its licence terms (for example, non-commercial use only under CC BY-NC). The CSD metadata is licensed by the CCDC and is not included: the dataset holds only refcodes and DOIs from the CSD.