By S.R. Hall, B McMahon
Foreign Tables for Crystallography quantity G, Definition and trade of crystallographic info, describes the traditional information alternate and archival dossier structure (the Crystallographic info dossier, or CIF) used all through crystallography. It offers in-depth info very important for small-molecule, inorganic and macromolecular crystallographers, mineralogists, chemists, fabrics scientists, solid-state physicists and others who desire to list or use the result of a single-crystal or powder diffraction scan. the amount additionally presents the targeted information ontology invaluable for programmers and database managers to layout interoperable machine purposes. The accompanying CD-ROM comprises the CIF dictionaries in machine-readable shape and a set of libraries and software courses.
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Additional resources for International Tables for Crystallography, Vol.G: Definition and Exchange of Crystallographic Data
Introduction (1) This document describes the full syntax of the Crystallographic Information File (CIF). 25 2. CONCEPTS AND SPECIFICATIONS (6) A data block begins with the reserved case-insensitive string followed immediately by the name of the data block, forming a data-block header. A save frame has a similar structure to a data block, but may not itself contain further save frames. A save frame begins with the reserved case-insensitive string save_ followed immediately by the name of the save frame, forming a save-frame header.
G. sentences, clauses, etc. For example
1) A CIF is a ﬁle conforming to the speciﬁcation herein stated, containing either information on a crystallographic experiment or its results (or similar scientiﬁc content), or descriptions of the data identiﬁers in such a ﬁle. 2) A data ﬁle is understood to convey information relating to a crystallographic experiment. 3) A dictionary ﬁle is understood to contain information about the data items in one or more data ﬁles as identiﬁed by their data names. 4) A data name is a case-insensitive identiﬁer (a string of characters beginning with an underscore character) of the content of an associated data value.