IUCr 1996 Report - Int. Tables Volume G. Crystallographic Information

Volume G on Crystallographic Information is a reference handbook for the interchange and archival of crystallographic information, concentrating in its first edition on the IUCr standard software interchange format CIF (the Crystallographic Information File).

The volume will comprise four parts. Part 1 (Specification) will present a detailed description of the data interchange file format, its syntax and use. The dictionary definition language, which permits data attributes to be stored in machine-readable dictionary files, will be defined and explained. Part 2 (Data Definition) will discuss the proper use of definitions in the current data dictionaries. It will be largely tutorial in nature, and will explain to the practising crystallographer how to store and interpret precisely the results of crystallographic experiments. Part 3 (Dictionaries) will include the data dictionary files that have been published as part of the interchange standard; at present these comprise descriptions of experimental and derived results in small-molecule, inorganic, powder diffraction and macromolecular studies. Part 4 (Applications) will describe the practical use of CIF dictionaries and data files in inter-laboratory data exchange, database archival and publishing. This part will include chapters describing standard software libraries that define an applications programming interface for crystallographic data interchange.

The volume will include a CD ROM containing the data dictionaries in machine-readable form, together with source code and documentation for the libraries and programs described. The CD ROM will also contain hypertext links to the IUCr Web pages permitting Internet browsers to consult the most recent dictionary files and documentation at any time. Publication is anticipated in early 1998.

Editors B. McMahon and S. R. Hall

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