Journal of Applied Crystallography

Volume 46, Part 1 (February 2013)

computer programs

J. Appl. Cryst. (2013). 46, 255-258    [ doi:10.1107/S0021889812045967 ]

SrRietveld: a program for automating Rietveld refinements for high-throughput powder diffraction studies

P. Tian, W. Zhou, J. Liu, Y. Shang, C. L. Farrow, P. Juhás and S. J. L. Billinge

Abstract: SrRietveld is a highly automated software toolkit for Rietveld refinement. Compared to traditional refinement programs, it is more efficient to use and easier to learn. It is designed for modern high-throughput diffractometers and is capable of processing large numbers of data sets with minimal effort. The software currently uses conventional Rietveld refinement engines, automating GSAS and FullProf refinements. However, as well as automating and extending many tasks associated with these programs, it is designed in a flexible and extensible way so that in the future these engines can be replaced with new refinement engines as they become available. SrRietveld is an open-source software package developed in Python.

Keywords: Rietveld refinement; SrRietveld; computer programs.

zipopen filedownload file

Zip compressed file (35295.8 kbytes)
[ doi:10.1107/S0021889812045967/ ]
SrRietveld installation program for Windows

gzopen filedownload file

Gzipped compressed file (1085.9 kbytes)
[ doi:10.1107/S0021889812045967/db5090sup2.tar.gz ]
SrRietveld source code bundle for installation on Linux, Unix or Mac operating systems


To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

 bibliographic record in  format

  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster