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. 3.3, p. 130
doi: 10.1107/97809553602060000735

Appendix A3.3.1. Category structure of the powder CIF dictionary

B. H. Tobya*

aNIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8562, USA
Correspondence e-mail: brian.toby@nist.gov

Table A3.3.1.1[link] provides an overview of the structure of the powder CIF dictionary by informal category group.

Table A3.3.1.1| top | pdf |
Categories in the powder CIF dictionary

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

PD_BLOCK group (§3.3.7[link]) PD_MEAS group (§3.3.4.4[link])
 PD_BLOCK (§3.3.7[link])  PD_DATA (part of category) (§3.3.4.4[link](a))
PD_CALC group (§3.3.5.2[link])  PD_MEAS_INFO (§3.3.4.4[link](b))
 PD_CALC (§3.3.5.2[link](b))  PD_MEAS_METHOD (§3.3.4.4[link](c))
 PD_DATA (part of category) (§3.3.5.2[link](a)) PD_PEAK group (§3.3.5.3[link])
PD_CALIB group (§3.3.4.3[link])  PD_PEAK (§3.3.5.3[link](a))
 PD_CALIB (§3.3.4.3[link](a))  PD_PEAK_METHOD (§3.3.5.3[link](b))
 PD_CALIBRATION (§3.3.4.3[link](b)) PD_PHASE group (§3.3.6.1[link])
PD_CHAR group (§3.3.4.1[link])  PD_PHASE (§3.3.6.1[link])
 PD_CHAR (§3.3.4.1[link](a)) PD_PREP group (§3.3.4.1[link])
PD_DATA group  PD_PREP (§3.3.4.1[link](b))
 _pd_calc_* items (§3.3.5.2[link](a)) PD_PROC group (§3.3.5.1[link])
 _pd_instr_var_illum_len  PD_DATA (part of category) (§3.3.5.1[link](a))
  (§3.3.4.3[link](d))  PD_PROC_INFO (§3.3.5.1[link](b))
 _pd_meas_* items (§3.3.4.4[link](a))  PD_PROC_LS (§3.3.5.1[link](c))
 _pd_proc_* items (§3.3.5.1[link](a)) PD_SPEC group (§3.3.4.2[link])
PD_INSTR group (§3.3.4.3[link])  PD_SPEC (§3.3.4.2[link])
 PD_DATA (part of category) (§3.3.4.3[link](d)) REFLN group (§3.3.5.4[link])
 PD_INSTR (§3.3.4.3[link](c))  REFLN (§3.3.5.4[link])








































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