Changes between Version 57 and Version 58 of WikiStart


Ignore:
Timestamp:
Oct 3, 2018 6:23:44 PM (3 years ago)
Author:
toby
Comment:

--

Legend:

Unmodified
Added
Removed
Modified
  • WikiStart

    v57 v58  
    22= GSAS-II Home =
    33
    4 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 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/ and the license is [https://subversion.xray.aps.anl.gov/pyGSAS/trunk/license2013.txt here].
     4GSAS-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.) It provides structure solution and refinement as well as extensive visualization capabilities. For powder diffraction, GSAS-II offers preliminary stages of analysis, including area detector integration, pattern indexing, !LeBail and Pawley intensity extraction and peak fitting. Small-angle scattering and reflectometry fitting is also supported. When large numbers of patterns are measured with parametric changes in measurement settings, a single combined refinement offers parametric fitting. GSAS-II is made available for free use ([https://subversion.xray.aps.anl.gov/pyGSAS/trunk/license2013.txt see license]) with open access to 
     5[https://subversion.xray.aps.anl.gov/pyGSAS/trunk/ the source code.]
    56
    6 We are updating the code quite frequently, so we may break things from time to time ([#Bugs see bug reporting, below]). Be sure to 'Update' frequently to stay abreast of new features as they are added.
     7We are adding new features to the code quite frequently, so we may break things from time to time ([#Bugs see bug reporting, below]). Be sure to 'Update' frequently to stay abreast of new features and fixes as they are added.
    78
    8 If you use GSAS-II, we encourage you to sign up for the GSAS-II mailing list [https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii here (https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii)] and '''please help us by [#PleaseCite citing it] in your papers'''.
     9GSAS-II now provides all of the capabilities in GSAS/EXPGUI, which are no longer supported. GSAS/EXPGUI users are encouraged to switch to use of GSAS-II.
     10
     11If you use GSAS-II, we encourage you to sign up for the  [https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii GSAS-II mailing list] ([#MailingList see below]). '''Please help us by [#PleaseCite citing it] in your papers'''.
     12
    913
    1014== Installation instructions ==
     
    2024== Please Cite ==
    2125
    22 Toby, 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.
     26The primary citation for GSAS-II is:
    2327
    24 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.
     28  Toby, 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.
     29
     30If 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. (Citations to GSAS-II have ~doubled every year, with 104 citations in 2017.) Note that some sections of program utilize work by others and will display citations for that. If you use those sections, please cite those papers as well.
    2531
    2632== Tutorials ==