International
Tables for
Crystallography
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
https://doi.org/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:  syd@crystal.uwa.edu.au

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 (§3.2.4.1[link])  DIFFRN_SCALE_GROUP
 ATOM_SITE (§3.2.4.1.1[link])   (§3.2.2.2.5[link](d))
 ATOM_SITES (§3.2.4.1.2[link])  DIFFRN_SOURCE (§3.2.2.2.2[link](d))
 ATOM_TYPE (§3.2.4.1.3[link])  DIFFRN_STANDARD_REFLN
AUDIT group (§3.2.6[link])   (§3.2.2.2.5[link](e))
 AUDIT (§3.2.6[link](a))  DIFFRN_STANDARDS (§3.2.2.2.5[link](f))
 AUDIT_AUTHOR (§3.2.6[link](b)) EXPTL group (§3.2.2.3[link])
 AUDIT_CONFORM (§3.2.6[link](c))  EXPTL (§3.2.2.3[link](a))
 AUDIT_CONTACT_AUTHOR (§3.2.6[link](d))  EXPTL_CRYSTAL (§3.2.2.3[link](b))
 AUDIT_LINK (§3.2.6[link](e))  EXPTL_CRYSTAL_FACE (§3.2.2.3[link](c))
CELL group (§3.2.2.1[link]) GEOM group (§3.2.4.3[link])
 CELL (§3.2.2.1[link](a))  GEOM (§3.2.4.3.1[link](a))
 CELL_MEASUREMENT_REFLN  GEOM_ANGLE (§3.2.4.3.1[link](b))
  (§3.2.2.1[link](b))  GEOM_BOND (§3.2.4.3.1[link](c))
CHEMICAL group (§3.2.4.2[link])  GEOM_CONTACT (§3.2.4.3.1[link](d))
 CHEMICAL (§3.2.4.2.1[link](a))  GEOM_HBOND (§3.2.4.3.1[link](e))
 CHEMICAL_CONN_ATOM  GEOM_TORSION (§3.2.4.3.1[link](f))
  (§3.2.4.2.2[link](a)) JOURNAL group (§3.2.5.4[link])
 CHEMICAL_CONN_BOND  JOURNAL (§3.2.5.4[link](a))
   (§3.2.4.2.2[link](b))  JOURNAL_INDEX (§3.2.5.4[link](b))
 CHEMICAL_FORMULA (§3.2.4.2.1[link](b)) PUBL group (§3.2.5.5[link])
CITATION group (§3.2.5.1[link])  PUBL (§3.2.5.5[link](a))
 CITATION (§3.2.5.1[link](a))  PUBL_AUTHOR (§3.2.5.5[link](b))
 CITATION_AUTHOR (§3.2.5.1[link](b))  PUBL_BODY (§3.2.5.5[link](c))
 CITATION_EDITOR (§3.2.5.1[link](c))  PUBL_MANUSCRIPT_INCL
COMPUTING group (§3.2.5.2[link])   (§3.2.5.5[link](d))
 COMPUTING (§3.2.5.2[link]) REFINE group (§3.2.3.1[link])
DATABASE group (§3.2.5.3[link])  REFINE (§3.2.3.1[link](a))
 DATABASE (§3.2.5.3[link])  REFINE_LS_CLASS (§3.2.3.1[link](b))
DIFFRN group (§3.2.2.2[link]) REFLN group (§3.2.3.2[link])
 DIFFRN (§3.2.2.2.1[link])  REFLN (§3.2.3.2.1[link])
 DIFFRN_ATTENUATOR (§3.2.2.2.2[link](a))  REFLNS (§3.2.3.2.2[link](a))
 DIFFRN_DETECTOR (§3.2.2.2.4[link])  REFLNS_CLASS (§3.2.3.2.2[link](b))
 DIFFRN_MEASUREMENT  REFLNS_SCALE (§3.2.3.2.2[link](c))
   (§3.2.2.2.3[link](a))  REFLNS_SHELL (§3.2.3.2.2[link](d))
 DIFFRN_ORIENT_MATRIX SYMMETRY group (§3.2.4.4[link])
  (§3.2.2.2.3[link](b))  SPACE_GROUP (§3.2.4.4.2[link](a))
 DIFFRN_ORIENT_REFLN (§3.2.2.2.3[link](c))  SPACE_GROUP_SYMOP (§3.2.4.4.2[link](b))
 DIFFRN_RADIATION (§3.2.2.2.2[link](b))  SYMMETRY (§3.2.4.4.1[link](a))
 DIFFRN_RADIATION_WAVELENGTH  SYMMETRY_EQUIV (§3.2.4.4.1[link](b))
  (§3.2.2.2.2[link](c)) VALENCE group (§3.2.4.5[link])
 DIFFRN_REFLN (§3.2.2.2.5[link](a))  VALENCE_PARAM (§3.2.4.5[link](a))
 DIFFRN_REFLNS (§3.2.2.2.5[link](b))  VALENCE_REF (§3.2.4.5[link](b))
 DIFFRN_REFLNS_CLASS  
   (§3.2.2.2.5[link](c))  








































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