Structure refinement

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gsas	4.5 MB 7.5.1999	GSAS Well-known structure refinement program (many platforms)	Freeware	FTP Home Page
fullprof	4.5 MB 7.5.1999	Fullprof Well-known structure refinement program (many platforms) DBWS style ASCII control file, includes the Winplotr software, Plotting of Data and Rietveld Plots, Peak Profiling, Manual Defining of Background, GUI link to Dicvol for Windows indexing, EXP GUI - new GUI replacement of expedit,  single Crystal Refinement, incommensurate structure refinement, size-strain peak profiling, Monte Carlo, Bond angle-bond lengths, restraints/constraints/rigid bodies, Le Bail fitting with recycling of intensities	Freeware	FTP Home Page
koala	8.8 MB 1.5.1998	Koalariet is a brand new Rietveld program for Windows 95 using new, modern, original code in C++. The main plus of Koalariet over present traditional Rietveld programs is in the modeling of peaks using the fundamental parmaeters approach with modern algorithms describe by Coehlo and Cheary. This properly handle most of the systematic effects of the sample and XRD geometry (the most obvious to the eye being low angle peak asymmetry). (latest version to Install, type e.g.: k-inst8  c:\    -d)	Freeware	FTP See also
RIETICA	4.5 MB 3.7.1999	Rietica by Brett Hunter (E-mail: bah@ansto.gov.au) is a full GUI based interface over the LHPM Rietveld Fortran code. It is presently heavily under development and presently has features including use of I.D. Brown et al's bond-valence code; ability to import GSAS, DBWS, Shelx and Fullprof files; ability to Export DBWS, Shelx, CIF and Fullprof; inbuilt, user-friendly Fourier electron density contour maps, etc	Freeware	FTP
SIMPRO	1.1 MB 18.8.1997	Simpro Full Powder Pattern Fitting Program. Version 1.2 . Refinement of multible phases, Refinement of the wave vector components of a modulated structures, Lorentz polarisation and geometry factors for different diffractometers, different peak shape functions, peak-shift correction by fitting a second-order polynomial in 2theta, scaling the 2theta values on standards: the lattice constants of silicon in the whole temperature range up to 1500 K are built in, background fitting with a 6th-order polynomial or fixed values, individual weights for each data point can be entered. Visit Home Page for source code.	Freeware	Home Page
SIMREF	2.3 MB 30.4.1999	Simultaneous Rietveld Refinement with Multiple Powder Data Sets. Refinement of multiple phases multiple data sets from X-ray (tubes), synchrotron and neutron diffractometers, modulated structures with symmetry adapted displacement vectors, magnetic structures using magnetic space groups, full pattern without structure model (program SIMPRO)	Freeware	Home Page
SR5	1.1 MB 3.7.1999	SR5 Rietveld refinement program by Rod Hill and Ian Madsen of CSIRO Division of Minerals, Melbourne, Australia	Freeware	FTP
Debvin.zip	1.1 MB 3.3.1998	Debvin Powder-Profile Refinement Using Generalized Coordinates and Geometrical Restraints	Freeware	FTP
XRS	6.7 MB 3.3.1998	XRS The X-ray Rietveld System (XRS) comprises a collection of programs for crystal structural analysis with powder diffraction data. It provides routines at all levels of the analysis - examples are Fourier transforms and least-squares refinements, and also programs to aid in the interpretation and publication of the refined results.	Freeware	FTP
		Rietquan 2.3 Rietveld crystal refinement for one or more phases, Quantitative phase analysis using the Rietveld procedure for crystalline phases, Quantitative phase analysis of the silica-glass and amorph phases, Microstructural analysis of crystallite size and r.m.s. microstrain, Customizable database of structures (coming with some of the principal phases already included)	Freeware Registration required (visit Home page)	Home Page
		MAUD is a general purpose program for diffraction spectra fitting. The interface is written in JavaTM to provide a common program for any plattform supporting this standard (actually Mac OS, Windows 95/98/NT, Unix and others). The interface can be used over the network as a normal program or by any internet browser compliance with JDK 1.1 or later.	Freeware Registration required (visit Home page)	Home Page
		WinMProf WinMProf is a Windows 9x/NT based program developed in combined Visual C++ and Visual Fortran. WinMProf is both a general GUI for MPROF Rietveld profile refinement program and a viewing software for experimental and calculated powder diffraction patterns. It can also be used as GUI for other associated programs (Fourier difference, bond distances calculation). WinMProf has all the features of a conventional Windows application using the mouse to select menus, tools in the toolbar, to resize and to move windows etc...	Freeware Registration required (visit Home page)	Home Page

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