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Ubiquity Press, CODATA Data Science Journal, (5), p. 174-177, 2006

DOI: 10.2481/dsj.5.174

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The Crystallographic Information File (CIF)

Journal article published in 2006 by I. D. Brown, Brian McMahon ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

The Crystallographic Information File (CIF), owned by the International Union of Crystallography, is a file structure based on tag–value ASCII pairs with tags defined in machine-readable dictionaries. The crystallographic community publishes and archives large quantities of numeric information generated by crystal structure determinations, and CIF's acceptance was assured by its adoption as the submission format for Acta Crystallographica and by the obvious needs of the community. CIF's strength lies in its dictionaries, which define most of the concepts of crystallography; its weakness is the difficulty of writing software that exploits its full potential.