Changes between Version 62 and Version 63 of WikiStart


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Timestamp:
Oct 4, 2018 1:02:09 PM (3 years ago)
Author:
toby
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    6 GSAS-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. Instrumental profile parameters can be fit to data from standards or derived from fundamental parameters; sample profile effects (crystallite size and microstrain) are treated independently. 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. GSAS-II also provides small-angle scattering and reflectometry fitting.
     6GSAS-II is a unique 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. Refinements can combine measurements from laboratory and  synchrotron x-rays as well as 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. Instrumental profile parameters can be fit to data from standards or derived from fundamental parameters; sample profile effects (crystallite size and microstrain) are treated independently from the instrument. When large numbers of patterns are measured with parametric changes in measurement settings, GSAS-II provides a novel capability to fit all patterns in a single sequential refinement with subsequent parametric fitting. GSAS-II also provides small-angle scattering and reflectometry fitting.
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    88GSAS-II is made available for free use ([https://subversion.xray.aps.anl.gov/pyGSAS/trunk/license2013.txt see license]) with open access to 
     
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    12 We 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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    14 GSAS-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.
     12We 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 use the `Help/Update` capability frequently to stay abreast of new features and fixes as they are added. GSAS-II now provides all of the capabilities in the GSAS/EXPGUI programs, which are no longer supported. GSAS/EXPGUI users are strongly encouraged to switch to use of GSAS-II.
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    1614== Installation instructions ==
     
    8886''A complete list of GSAS-II wiki pages is [TitleIndex here].'''
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    90 [=#TOF *]
    91 Inclusion of Time-of-flight diffraction capabilities in GSAS-II was supported by Oak Ridge National Lab.
     88[=#TOF *]Inclusion of Time-of-flight diffraction capabilities in GSAS-II was supported by Oak Ridge National Lab.