Journal of Applied Crystallography

Volume 36, Part 5 (October 2003)

cif applications

J. Appl. Cryst. (2003). 36, 1290-1294 [ doi:10.1107/S0021889803016819 ]

CIF applications. XIV. Reporting of Rietveld results using pdCIF: GSAS2CIF

B. H. Toby, R. B. Von Dreele and A. C. Larson

Abstract: A discussion of the process of creating powder diffraction CIF documents (pdCIF) from Rietveld results is presented, with particular focus on the computer program GSAS2CIF. The data structures used within GSAS2CIF are described, as well as how the program implements template files for descriptive information. Two graphical user interface utilities are also discussed.

Keywords: CIF applications; computer programs; GSAS2CIF; powder CIF.


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