Changes between Version 59 and Version 60 of WikiStart


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Timestamp:
Oct 4, 2018 11:58:15 AM (3 years ago)
Author:
toby
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  • WikiStart

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    22= GSAS-II Home =
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    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.) It provides structure solution and refinement as well as extensive visualization capabilities. For powder diffraction, GSAS-II also provides 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 that offers parametric fitting is provided.
     4GSAS-II is an open source Python project for determination of crystal structures and diffraction-based materials characterization for crystalline solids on all scales, from perovskites through proteins, using both powder and single-crystal diffraction and with both x-ray and neutron probes. Measurements can be from laboratory, synchrotron, constant wavelength or time-of-flight[#TOF *] neutron sources. It provides structure solution and refinement as well as extensive visualization capabilities. For powder diffraction, GSAS-II also provides preliminary stages of data reduction and analysis, including area detector calibration and 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, GSAS-II provides a unique capability to fit all patterns in a single sequential refinement with subsequent parametric fitting.
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    66GSAS-II is made available for free use ([https://subversion.xray.aps.anl.gov/pyGSAS/trunk/license2013.txt see license]) with open access to 
     
    99We 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.
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    11 GSAS-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.
     11GSAS-II now provides all of the capabilities in the GSAS/EXPGUI programs, which are no longer supported. GSAS/EXPGUI users are encouraged to switch to use of GSAS-II.
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    1313If 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'''.
     
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    9090[[BR]]
    91 ''A complete list of GSAS-II wiki pages is [TitleIndex here].''''
     91''A complete list of GSAS-II wiki pages is [TitleIndex here].'''
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     93[=#TOF *]
     94Inclusion of Time-of-flight diffraction capabilities in GSAS-II was supported by Oak Ridge National Lab.