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. 3.3, p. 118


B. H. Tobya*

aNIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8562, USA
Correspondence e-mail:

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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[link] PD_CHAR Characterization of a sample[link] PD_PREP Preparation of a sample[link] PD_SPEC Specimen used in an experiment[link] PD_CALIB Calibration information[link] PD_INSTR The experimental instrument[link] PD_MEAS Raw measurements and instrumental settings
(b) Analysis[link] PD_PROC Processed settings[link] PD_CALC Simulated settings[link] PD_PEAK Diffraction peak table[link] REFLN Reflection assignments and intensities
(c) Atomicity, chemistry and structure[link] PD_PHASE Phases present
(d) File metadata[link] PD_BLOCK Relationships between data blocks[link],[link],[link],[link] PD_DATA Measured and simulated intensities