CIF (Crystallographic Information File): A Standard for Crystallographic Data Interchange

The Crystallographic Information File (CIF) uses the self-defining STAR file structure. This requires the creation of a dictionary of data names and definitions. A basic dictionary of terms needed to describe the crystal structures of small molecules was approved in 1991 and is currently used for th...

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Veröffentlicht in:Journal of research of the National Institute of Standards and Technology 1996-05, Vol.101 (3), p.341-346
1. Verfasser: Brown, I D
Format: Artikel
Sprache:eng
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Zusammenfassung:The Crystallographic Information File (CIF) uses the self-defining STAR file structure. This requires the creation of a dictionary of data names and definitions. A basic dictionary of terms needed to describe the crystal structures of small molecules was approved in 1991 and is currently used for the submission of papers to . A number of extensions to this dictionary are in preparation. By storing the dictionary itself as a STAR file, the definitions and relationships in the CIF dictionary become computer interpretable. This offers many possibilities for the automatic handling of crystallographic information.
ISSN:1044-677X
2165-7254
DOI:10.6028/jres.101.035