The Advanced Photon Source
a U.S. Department of Energy Office of Science User Facility

APS High Pressure Special Interest Group

Type Of Event
Sponsoring Division
Start Date
Start Time
1:30 p.m.

Speaker: Dr. Brian Toby of the Computational X-Ray Science Group, APS

Title: “GSAS-II for High Pressure Diffraction”


The GSAS-II package is a modern, comprehensive and extensible package for analysis of all types of diffraction data on
multiple scales: crystallography (including 3+1 superspace modulated structures), small-angle scattering and
reflectometry; with single-crystal or powder diffraction measurements; with x-rays or neutron probes, where the latter may
be constant-wavelength or time-of-flight. For crystallographic analysis, structural models can be fit to many datasets of
any type in combination. GSAS-II also provides a novel capability fit to a parametric series of datasets. GSAS-II can be
run on Windows, Linux and Mac computers with Intel-compatible processors. All GSAS-II functionality can be accessed
from a graphic user interface; selected functionality can be accessed via a Python-based applications interface. For this
talk, a brief introduction will be made about GSAS-II and then topics of greatest interest to the high-pressure community
will be covered, as time allows: 2-D image calibration, masking and integration; writing importers for new data formats;
scripting image processing and refinements; simplifying model complexity through constraints, restraints and rigid bodies.


This is the third presentation of our emerging high-pressure experiment technique sessions.  These sessions will include topics such as new synchrotron techniques for high-pressure , high-pressure techniques associated with synchrotron applications, data collection and analysis methodologies and software, and creative applications of existing techniques.  We hope you will join us to find out the recent advances in GSAS-II, how to use it in high-pressure research and provide your input.

To join via link:
Or by phone: 1-866-226-4650 (US Toll Free)
Meeting ID: 291 330 141


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