Changes between Version 61 and Version 62 of WikiStart


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Oct 4, 2018 12:56:31 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. 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.
     6GSAS-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.
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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