The interoperability of crystallographic data and databases

被引:4
作者
Brink, Alice [1 ]
Bruno, Ian [2 ]
Helliwell, John R. [3 ]
McMahon, Brian [4 ]
机构
[1] Univ Free State, Chem Dept, Nelson Mandela Dr, Bloemfontein, South Africa
[2] Cambridge Crystallog Data Ctr, 12 Union Rd, Cambridge CB2 1EZ, England
[3] Univ Manchester, Dept Chem, Oxford Rd, Manchester, Lancs, England
[4] Int Union Crystallog, 5 Abbey Sq, Chester CH1 2HU, Cheshire, England
来源
IUCRJ | 2024年 / 11卷
关键词
interoperability; data; databases; interdisciplinarity; cross-domain integration; CODATA; CHEMICAL-STRUCTURE;
D O I
10.1107/S2052252523010424
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Interoperability of crystallographic data with other disciplines is essential for the smooth and rapid progress of structure-based science in the computer age. Within crystallography and closely related subject areas, there is already a high level of conformance to the generally accepted FAIR principles (that data be findable, accessible, interoperable and reusable) through the adoption of common information exchange protocols by databases, publishers, instrument vendors, experimental facilities and software authors. Driven by the success within these domains, the IUCr has worked closely with CODATA (the Committee on Data of the International Science Council) to help develop the latter's commitment to cross-domain integration of discipline-specific data. The IUCr has, in particular, emphasized the need for standards relating to data quality and completeness as an adjunct to the FAIR data landscape. This can ensure definitive reusable data, which in turn can aid interoperability across domains. A microsymposium at the IUCr 2023 Congress provided an up-to-date survey of data interoperability within and outside of crystallography, expounded using a broad range of examples.
引用
收藏
页码:9 / 15
页数:7
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