GSAS-II home page The home page provides information for downloading and installing GSAS-II, citation information, how to report bugs, how to join the mailing list, etc. It can be used with large collections of related datasets for repeated (sequential) refinements and for parametric fitting to these results. GSAS-II handles all the steps in diffraction analysis, including data reduction, peak analysis, indexing, Pawley fits, small-angle scattering fits, and structure solution in addition to structure refinement. GSAS-II is an open-source Python package appropriate for 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. An Overview of APS crystallographic software A description of the GSAS-II, GSAS and EXPGUI software packages for crystallographic analysis including Rietveld analysis. A Casual Introduction to Least-squares Fitting: A descriptive approach A non-rigorous introduction to linear algebra, linear and non-linear least squares and related concepts. Space Groups: A primer on topics significant for powder diffraction A Flash movie presentation discussing space group naming, subgroup transforms and their importance in phase transformations, and how space groups are input to GSAS, as well as common errors made in settings. Getting Started with Rietveld A Flash movie presentation reviewing background concepts needed for Rietveld analysis and introducing how the Rietveld method works. These lectures introduce concepts in crystallography, such as the lattice, symmetry, single-crystal and powder diffraction, crystal structure determination and refinement. Cora Lind for her Chem 4980/6850/8850: X-ray Crystallography course at the University of Toledo (Ohio). The APS provides on-line materials related to learning to perform crystallographic analysis from powder diffraction.Īn Introduction to Crystallography A series of lectures and handout notes given by Dr.
0 kommentar(er)
