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*

aNIST 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.

SectionCategory groupSubject 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