Software
===

Here follows is presented a list of commonly used software in the community for fitting the Bragg diffraction data for extracting the average structure of materials.

| Software | Introduction | Link |
|----------|--------------|------|
| FullProf | Crystallographic programs mainly developed for Rietveld analysis of neutron (constant wavelength, time of flight, nuclear and magnetic scattering) or X-ray powder diffraction data collected at constant or variable step in scattering angle 2theta. | <a href="https://www.ill.eu/sites/fullprof/" target="_blank">https://www.ill.eu/sites/fullprof/</a> |
| GSAS & EXPGUI | Software package to fit structural models to x-ray and neutron diffraction data. It can be used with both single-crystal and powder diffraction data (Rietveld analysis). EXPGUI is a Graphical user interface to GSAS. <br />`FullProf and GSAS & GSAS-II are Rietveld refinement packages for determination of nuclear and magnetic structures as well as other kind of materials.` <br />`The software is no longer supported and people are strongly recommended to use GSAS-II as alternative.` | <a href="https://www.ncnr.nist.gov/xtal/software/downloads.html" target="_blank">https://www.ncnr.nist.gov/xtal/software/downloads.html</a> |
| GSAS II | Python project for determination of crystal structures using both powder and single-crystal diffraction with extensive visualization capabilities. | <a href="https://subversion.xray.aps.anl.gov/trac/pyGSAS" target="_blank">https://subversion.xray.aps.anl.gov/trac/pyGSAS</a> |
| JANA | Crystallographic Computing System for Standard and Modulated Structures. Structure solution and refinement of powder and crystal / magnetic structures (CW and TOF neutron). |  <a href="http://jana.fzu.cz/" target="_blank">http://jana.fzu.cz/</a> |
| SaraH | contains the user friendly magnetic structure analysis programs SARAh-Representational Analysis and SARAh-Refine. SARAh uses representational analysis to calculate 'symmetry allowed magnetic structures' . The front-end SARAh-Refine facilitates analysis of magnetic diffraction data in terms of these results with GSAS and FullProf. When used with GSAS, SARAh allows reverse Monte Carlo/ Simulated Annealing refinement of the moment orientations. When used with FullProf, automatic creation and editing of the magnetic phase can be controlled by the user. | <a href="https://www.dropbox.com/s/p51ku5yc5irlsfs/SARAh_setup2.exe?dl=0" target="_blank">https://www.dropbox.com/s/p51ku5yc5irlsfs/SARAh_setup2.exe?dl=0</a>
| TOPAS | TOPAS-Academic is a Windows based general non-linear least squares system driven by a scripting language. A Rietveld program for laboratory x-ray diffraction, synchrotron, singlecrystal, and neutron fixed wavelength and TOF data. | <a href=" http://www.topas-academic.net/" target="_blank"> http://www.topas-academic.net</a> |