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EXPGUI, a graphical user interface for GSAS
- B. Toby
- Computer Science
- 1 April 2001
A description and justification of the EXPGUI program, which implements a graphical user interface and shell for the GSAS single-crystal and Rietveld package using the Tcl/Tk scripting language, is presented.
A dedicated powder diffraction beamline at the advanced photon source: commissioning and early operational results.
A new dedicated high-resolution high-throughput powder diffraction beamline has been built, fully commissioned, and opened to general users at the Advanced Photon Source. The optical design and…
A twelve-analyzer detector system for high-resolution powder diffraction.
The design and performance of the 12-analyzer detector system installed on the powder diffractometer at the 11-BM beamline of APS are presented.
R factors in Rietveld analysis: How good is good enough?
- B. Toby
- EconomicsPowder Diffraction
- 1 March 2006
The definitions for important Rietveld error indices are defined and discussed. It is shown that while smaller error index values indicate a better fit of a model to the data, wrong models with poor…
GSAS‐II: the genesis of a modern open‐source all purpose crystallography software package
The newly developed GSAS-II software is a general purpose package for data reduction, structure solution and structure refinement that can be used with both single-crystal and powder diffraction data…
Size–strain line-broadening analysis of the ceria round-robin sample
The results of both a line-broadening study on a ceria sample and a size–strain round robin on diffraction line-broadening methods, which was sponsored by the Commission on Powder Diffraction of the…
STATE-OF-THE-ART HIGH-RESOLUTION POWDER X-RAY DIFFRACTION (HRPXRD) ILLUSTRATED WITH RIETVELD STRUCTURE REFINEMENT OF QUARTZ, SODALITE, TREMOLITE, AND MEIONITE
Synchrotron high-resolution powder X-ray diffraction (HRPXRD) data and Rietveld structure refinements were used to examine the crystal structures of quartz, sodalite, tremolite, and meionite Me79.6,…
Accuracy of pair distribution function analysis applied to crystalline and non-crystalline materials
Pair distribution function (PDF) analysis of neutron or X-ray powder diffraction data is a useful technique for analysis of short-range structure in both amorphous and crystalline materials. Errors…
Ferromagnetic quantum critical point induced by dimer-breaking in SrCo 2 (Ge 1− x P x ) 2
Instead of the usual chemical doping or applied pressure methods for controlling quantum phase transitions, it’s now possible to break chemical bonds to tune into a ferromagnetic quantum critical…