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What's new in GSAS-II

Published online by Cambridge University Press:  20 October 2014

Brian H. Toby  and
Robert B. Von Dreele
Brian H. Toby*
Affiliation:
Advanced Photon Source, Argonne National Laboratory, 9700 S. Cass Avenue, Argonne, Illinois 60439-4814
Robert B. Von Dreele
Affiliation:
Advanced Photon Source, Argonne National Laboratory, 9700 S. Cass Avenue, Argonne, Illinois 60439-4814
*
a)Author to whom correspondence should be addressed. Electronic mail: toby@anl.gov
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Abstract

The General Structure and Analysis Software II (GSAS-II) package is an all-new crystallographic analysis package written to replace and extend the capabilities of the universal and widely used GSAS and EXPGUI packages. GSAS-II was described in a 2013 article, but considerable work has been completed since then. This paper describes the advances, which include: rigid body fitting and structure solution modules; improved treatment for parametric refinements and equation of state fitting; and small-angle scattering data reduction and analysis. GSAS-II offers versatile and extensible modules for import and export of data and results. Capabilities are provided for users to select any version of the code. Code documentation has reached 150 pages and 17 web-tutorials are offered.

Keywords

Powder diffractionCrystallographic analysisRietveld analysisSoftware
Type
Technical Articles
Information
Powder Diffraction , Volume 29 , Supplement S2 , December 2014 , pp. S2 - S6
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Copyright
Copyright © International Centre for Diffraction Data 2014 

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