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

International Tables for Crystallography (2006). Vol. G, ch. 3.2, p. 116
doi: 10.1107/97809553602060000734

Appendix A3.2.1. Category structure of the core CIF dictionary

S. R. Hall,a* P. M. D. Fitzgeraldb and B. McMahonc

aSchool 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:

Table A3.2.1.1[link] provides an overview of the structure of the core CIF dictionary by informal category group and categories.

Table A3.2.1.1| top | pdf |
Categories in the core CIF dictionary

Numbers in parentheses refer to the section of this chapter in which each category is described in detail.

ATOM group (§[link])  DIFFRN_SCALE_GROUP
 ATOM_SITE (§[link])   (§[link](d))
 ATOM_SITES (§[link])  DIFFRN_SOURCE (§[link](d))
AUDIT group (§3.2.6[link])   (§[link](e))
 AUDIT (§3.2.6[link](a))  DIFFRN_STANDARDS (§[link](f))
 AUDIT_AUTHOR (§3.2.6[link](b)) EXPTL group (§[link])
 AUDIT_CONFORM (§3.2.6[link](c))  EXPTL (§[link](a))
 AUDIT_CONTACT_AUTHOR (§3.2.6[link](d))  EXPTL_CRYSTAL (§[link](b))
 AUDIT_LINK (§3.2.6[link](e))  EXPTL_CRYSTAL_FACE (§[link](c))
CELL group (§[link]) GEOM group (§[link])
 CELL (§[link](a))  GEOM (§[link](a))
  (§[link](b))  GEOM_BOND (§[link](c))
CHEMICAL group (§[link])  GEOM_CONTACT (§[link](d))
 CHEMICAL (§[link](a))  GEOM_HBOND (§[link](e))
  (§[link](a)) JOURNAL group (§[link])
   (§[link](b))  JOURNAL_INDEX (§[link](b))
 CHEMICAL_FORMULA (§[link](b)) PUBL group (§[link])
CITATION group (§[link])  PUBL (§[link](a))
 CITATION (§[link](a))  PUBL_AUTHOR (§[link](b))
 CITATION_AUTHOR (§[link](b))  PUBL_BODY (§[link](c))
COMPUTING group (§[link])   (§[link](d))
 COMPUTING (§[link]) REFINE group (§[link])
DATABASE group (§[link])  REFINE (§[link](a))
 DATABASE (§[link])  REFINE_LS_CLASS (§[link](b))
DIFFRN group (§[link]) REFLN group (§[link])
 DIFFRN (§[link])  REFLN (§[link])
 DIFFRN_ATTENUATOR (§[link](a))  REFLNS (§[link](a))
 DIFFRN_DETECTOR (§[link])  REFLNS_CLASS (§[link](b))
   (§[link](a))  REFLNS_SHELL (§[link](d))
  (§[link](b))  SPACE_GROUP (§[link](a))
 DIFFRN_ORIENT_REFLN (§[link](c))  SPACE_GROUP_SYMOP (§[link](b))
 DIFFRN_RADIATION (§[link](b))  SYMMETRY (§[link](a))
  (§[link](c)) VALENCE group (§[link])
 DIFFRN_REFLN (§[link](a))  VALENCE_PARAM (§[link](a))
 DIFFRN_REFLNS (§[link](b))  VALENCE_REF (§[link](b))

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