Validation of the Crystallography Open Database using the Crystallographic Information Framework 论文
2021Journal of Applied Crystallography引用 355
Research Data Management PracticesScientific Computing and Data ManagementSemantic Web and Ontologies
详细信息
- 发表期刊/会议
- Journal of Applied Crystallography
- 发表日期
- 2021-02-14
- 发表年份
- 2021
关键词
Research Data Management PracticesScientific Computing and Data ManagementSemantic Web and Ontologies
摘要
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.