Literature DB >> 33953659

Validation of the Crystallography Open Database using the Crystallographic Information Framework.

Antanas Vaitkus1, Andrius Merkys1, Saulius Gražulis1,2.   

Abstract

Data curation practices of the Crystallography Open Database (COD) are described with additional focus being placed on the formal validation using the Crystallographic Information Framework (CIF). The cif_validate program, capable of validating CIF files against both the DDL1 and the DDLm dictionaries, is presented and used to process the entirety of the COD. Validation results collected from over 450 000 CIF files are demonstrated to be a useful resource in the data maintenance process as well as the development of the underlying ontologies. A set of programs intended to aid in the dictionary migration from DDL1 to DDLm is also presented. © Antanas Vaitkus et al. 2021.

Entities:  

Keywords:  CIF dictionary; CIF validation; Crystallographic Information Framework; Crystallography Open Database; DDLm

Year:  2021        PMID： 33953659      PMCID： PMC8056762          DOI： 10.1107/S1600576720016532

Source DB:  PubMed          Journal:  J Appl Crystallogr        ISSN： 0021-8898            Impact factor:   4.868


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