Table 3.2.1.1

Hall, S. R.; Fitzgerald, P. M. D.; McMahon, B.

doi:10.1107/97809553602060000734

International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by S. R. Hall and B. McMahon

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International Tables for Crystallography (2006). Vol. G. ch. 3.2, p. 92

Table 3.2.1.1

S. R. Hall,^a ^* P. M. D. Fitzgerald^b and B. McMahon^c

^a School of Biomedical and Chemical Sciences, University of Western Australia, Crawley, 6009, Australia,^bMerck Research Laboratories, Rahway, New Jersey, USA, and ^cInternational Union of Crystallography, 5 Abbey Square, Chester CH1 2HU, England
Correspondence e-mail: syd@crystal.uwa.edu.au

Table 3.2.1.1 | top | pdf |
Category groups defined in the core CIF dictionary

The groups are listed in the order in which they are described in this chapter.

Section	Category group	Subject covered
(a) Experimental measurements
3.2.2.1	CELL	Unit cell
3.2.2.2	DIFFRN	Diffraction experiment
3.2.2.3	EXPTL	Experimental conditions

(b) Analysis
3.2.3.1	REFINE	Refinement procedures
3.2.3.2	REFLN	Reflection measurements

(c) Atomicity, chemistry and structure
3.2.4.1	ATOM	Atom sites
3.2.4.2	CHEMICAL	Chemical properties and nomenclature
3.2.4.3	GEOM	Geometry of atom sites
3.2.4.4	SYMMETRY	Symmetry information
3.2.4.5	VALENCE	Bond-valence information

(d) Publication
3.2.5.1	CITATION	Bibliographic references
3.2.5.2	COMPUTING	Computational details of the experiment
3.2.5.3	DATABASE	Database information
3.2.5.4	JOURNAL	Journal housekeeping
3.2.5.5	PUBL	Contents of a published article

(e) File metadata
3.2.6	AUDIT	Dictionary maintenance and identification