ALD process parameter database v2.1 extracted from the full text of the literature

Abstract

A database of atomic layer deposition (ALD) process parameters extracted from the full text of the scientific literature by an open-weight large language model, together with the manually annotated gold standards used to validate the extraction and a provenance table linking each value to a character span in its own source article. From 12,945 indexed records, the full text of 1,706 articles was retrieved and parsed; 656 of these never mention atomic layer deposition in their own text and were excluded. Eight process parameters (deposited material, precursor, co-reactant, deposition temperature, growth per cycle, chamber pressure, pulse time and purge time) were extracted from the remaining 1,050 articles, of which 597 yielded at least one value, giving 3,886 values in total. What changed in version 2.1. The gold standard was corrected. In version 1.0 of that file a block of rows carried the DOI of the row below it, an off-by-one introduced when two annotation files were merged in a spreadsheet, so 23 of the 84 held-out articles were scored against another article's annotated values. The pairing was restored from the annotator's per-DOI extraction notes and from the publisher-supplied title of each retrieved body, and the corrected file is released here as ald_gold_standard_v1.1.xlsx with a row-by-row record of the correction. Two DOIs that did not resolve to a retrieved body were corrected, and one review article that reports no deposition of its own and carries no annotated value was removed from the test split, which is now 83 articles and 477 fields. The extraction output itself is unchanged: the error was in the answer key, not in the released data. The evaluation figures reported in the accompanying manuscript were recomputed against the corrected file. Version 2.1 also replaces Source_Data.xlsx with one sheet per figure and adds the intermediate files, the reactor classification, the token-usage measurement, and the second annotator's independent annotation of 25 held-out articles. Contents. ALD_DB_v2.0.xlsx holds the 3,886 values, one row per article per field; the file name is unchanged from version 2.0 because the released scripts open it by that name. provenance_spans.csv gives the character offsets and matched sentence for each individual value: 93.8% were located again in their own article and 75.4% matched verbatim or as a number carrying its unit; values that could not be located are marked rather than removed. ald_llm_fulltext_v2.xlsx is the frozen extraction output over all 1,050 articles. ald_gold_standard_v1.1.xlsx contains 477 manually annotated gold fields over 83 held-out articles, and relation_gold_104records.xlsx contains 104 human-verified condition records. annotator_agreement_25articles.xlsx holds a second, independent annotation of 25 of those articles beside the first annotator's values. split_manifest.json fixes the evaluation split. Source_Data.xlsx gives the numerical source data behind the figures, one sheet per figure. A recovered span shows that a value occurs at those offsets in that article. It is a claim a reader can check with the article and this table, verified by an automatic search released with the accompanying software. It is not a record of what the model attended to. Full texts of the source articles are covered by publisher licences and cannot be redistributed. Every record carries the article DOI so that the original text can be retrieved from the publisher. Accompanying software: Full-text extraction pipeline for ALD process parameters (v2.1), deposited separately under the MIT licence.