Changes between Version 36 and Version 37 of WikiStart


Ignore:
Timestamp:
Oct 13, 2015 1:06:57 PM (6 years ago)
Author:
toby
Comment:

--

Legend:

Unmodified
Added
Removed
Modified
  • WikiStart

    v36 v37  
    11= GSAS-II Home =
    22
    3 GSAS-II is an open source Python project that addresses all types of crystallographic studies, from simple materials through macromolecules, using both powder and single-crystal diffraction and with both x-ray and neutron probes. Measurements can be constant wavelength (and coming soon, thanks to support from Oak Ridge National Lab, neutron TOF.) At present, code is being developed for all 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.xray.aps.anl.gov/pyGSAS/trunk/
     3GSAS-II is an open source Python project that addresses all types of crystallographic studies, from simple materials through macromolecules, using both powder and single-crystal diffraction and with both x-ray and neutron probes. Measurements can be constant wavelength or TOF (thanks to support from Oak Ridge National Lab.) GSAS-II supports everything that GSAS/EXPGUI does, except for magnetic scattering, but GSAS-II also handles all the steps in diffraction analysis, such as data reduction, peak analysis, indexing, Pawley fits, small-angle scattering fits, structure solution in addition to structure refinement. It can be used with large collections of related datasets for repeated (sequential) refinements and for parametric fitting to these results. The source code can be found at https://subversion.xray.aps.anl.gov/pyGSAS/trunk/
    44
    5 At present GSAS-II can be used for processing of area detector data, peak fitting, auto-indexing, structure solution, Pawley, Rietveld and small-angle scattering fitting. It can be used with large collections of related datasets for repeated (sequential) refinements and for parametric fitting to thise results. Many of the nice features of GSAS are present and some things work much better than in GSAS, but a few features are yet to come. At this point only x-rays and constant wavelength neutrons are implemented (TOF is currently being implemented). The GUI is self-documenting with help pages for every GUI section. The code is changing on a regular basis, so expect things to break from time to time and you should 'Update' frequently to stay abreast of new features as they are added.
    65
    7 If you use GSAS-II, please sign up for the GSAS-II mailing list, see web page [http://www.aps.anl.gov/mailman/listinfo/GSAS-II].
     6The code is changing on a regular basis, so expect things to break from time to time (see bug reporting, [#Bugs below]). Be sure to 'Update' frequently to stay abreast of new features as they are added.
     7
     8If you use GSAS-II, please sign up for the GSAS-II mailing list, see web page [http://www.aps.anl.gov/mailman/listinfo/GSAS-II] and '''please [#PleaseCite cite it]'''.
    89
    910== Installation instructions ==
     
    1819Toby, B. H., & Von Dreele, R. B. (2013). "GSAS-II: the genesis of a modern open-source all purpose crystallography software package". ''Journal of Applied Crystallography'', '''46'''(2), 544-549.
    1920
    20 ''If you use GSAS-II in any part of your project, please cite it in your publications. This is the only way you can demonstrate your support of the project.''
     21If you use GSAS-II in any part of your project, ''please'' cite it in your publications. This is the only way you can demonstrate your support of the project.
    2122
    2223== GSAS-II Documentation ==