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. 118

Table 3.3.3.1 

B. H. Tobya*

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

Table 3.3.3.1 | top | pdf |
Category groups defined in the powder 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
3.3.4.1[link] PD_CHAR Characterization of a sample
3.3.4.1[link] PD_PREP Preparation of a sample
3.3.4.2[link] PD_SPEC Specimen used in an experiment
3.3.4.3[link] PD_CALIB Calibration information
3.3.4.3[link] PD_INSTR The experimental instrument
3.3.4.4[link] PD_MEAS Raw measurements and instrumental settings
     
(b) Analysis
3.3.5.1[link] PD_PROC Processed settings
3.3.5.2[link] PD_CALC Simulated settings
3.3.5.3[link] PD_PEAK Diffraction peak table
3.3.5.4[link] REFLN Reflection assignments and intensities
     
(c) Atomicity, chemistry and structure
3.3.6.1[link] PD_PHASE Phases present
     
(d) File metadata
3.3.7.1[link] PD_BLOCK Relationships between data blocks
3.3.4.3[link], 3.3.4.4[link], 3.3.5.1[link], 3.3.5.2[link] PD_DATA Measured and simulated intensities