GSAS-II Home

GSAS-II is an open source project that addresses all types of crystallographic studies, from simple materials through macromolecules, using both powder and single-crystal diffraction with both x-ray and neutron probes. Measurements can be angle- or energy-dispersive (such as TOF). At present, code is being developed for the various steps in diffraction analysis, such as data reduction, peak analysis, indexing, structure solution and structure refinement. The source code can be found at ​https://subversion.xor.aps.anl.gov/pyGSAS/trunk/

At present GSAS-II can be used for processing of area detector data, peak fitting, auto-indexing, Pawley and Rietveld fitting. Many of the nice features of GSAS are present and some things work much better than in GSAS, but other features are yet to come. At this point only x-rays and constant wavelength neutrons are implemented. The GUI is self-documenting. The code is changing on a regular basis, so expect things to break from time to time and you should 'Update' frequently.

GSAS-II User Documentation

Installation instructions:

• Windows
• Mac OS X
• Linux

Demonstration Exercises:

• Calibration of Area Detector data
• Integration of Area Detector data
• Auto-index powder pattern

Reusable Modules

• GSASIIspc: Space group interpretation code
• GSASIIlattice: Lattice computations code

GSAS-II Unit Tests

The hope is that all sections of GSAS-II code will have unit tests, following the outline defined here.

GSAS-II Project tracking

Updates to the source code can be followed using the Trac tool at this website. The Tickets and Roadmap features are not in use.
For a complete list of GSAS-II wiki pages, see TitleIndex.