Methods, Problems and Solutions
Bob von Dreele and Allen Larson's GSAS and GSAS Hints/Resources
[GSAS (General Structure Analysis System) Rietveld powder diffraction and Single Crystal software]
The reference to use for GSAS in any resulting publications is:
A.C. Larson and R.B. Von Dreele, "General Structure Analysis System
(GSAS)", Los Alamos National Laboratory Report LAUR 86-748
(1994).
The reference to use for EXPGUI in any resulting publications is:
B. H. Toby, EXPGUI, a graphical user interface for GSAS, J. Appl. Cryst. (2001). 34, 210-213.
Adobe PDF file of A guided training exercise of Quantitative Phase Analysis using EXPGUI and GSAS by Alessandro F. Gualtieri (May 2003)
Ian Swainson's Fireside Guide to Rigid Bodies in GSAS (PDF format)
CCP14 Based GSAS Tutorials
CCP14 based GSAS Information
Other Third Party GSAS Resources and GSAS happy programs
Programs that can convert GSAS Rietveld plot output into an ASCII format suitable for
scientific graphing programs such as Origin, SigmaPlot, IgorPro, KaleidaGraph, (and Excel)
- GUIGSAS/EXPGUI (Brian Toby)
- GSAS HIST to IGOR-PRO converter (Jaap Vente)
- GSAS Tools from Ralf W. Grosse-Kunstleve
- P2XY GSAS Postscript to ASCII Column Data program (Tadashi C. Ozawa)
- PATE (Scott Belmonte)
- Powder v2.0 (Nita Dragoe)
- AXES Powder Diffraction Toolkit for PC - Hugo Mandar
- CMPR Manual Indexing and Powder Diffraction Toolkit for UNIX/Windows - Brian Toby
- Coue - Crystals bond restraints list to GSAS Macro (and Bruker Topas) converter - Scott Belmonte
- FOUE Fourier Map converter: C source code and Windows Executable - Scott Belmonte
- GSAS Tools from Ralf W. Grosse-Kunstleve
- DMPLOT Rietveld Plot Viewer - Stanislaw Gierlotka
- PATE C source code and Windows Executable - Scott Belmonte
- Contact: scott.belmonte@ntlworld.com
- PATE takes input from the GSAS *.EXP and *.P## (the experimental file and
binary profile pattern files) and outputs this into ASCII files suitable for scientific graphing software.
- PATE can handle multiple histograms, multiple phases and TOF (Time of Flight) Neutron patterns.
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"Just a couple of remarks:
(1) The *.P## are binary files and are not portable between systems with different endianess. So you may get incorrect results if you try to use PATE on one machine to decode files from GSAS run on another."
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[CCP14 UK Web Mirror] |
- GSAS-BATCH - Duan Qiang (David) Wang
- GSAS HIST to IGOR-PRO converter - Jaap Vente
- P2XY GSAS Postscript to ASCII column data program - Tadashi C. Ozawa
- CRI Convert for DOS - Mark Bowden
- Powder v2.00 (sequel to Convert) for Windows - Nita Dragoe
- XY2GSAS for DOS can convert X-Y column data into GSAS format - Dr. H. Marciniak and Stan(islaw) Gierlotka
- GUI WinOrtep and GUI WinStruplo - Louis Farrugia
- Atoms - by Shape Software - Eric Dowty
Other Rietveld Software that can Accept GSAS Files
- Fullprof - Juan Rodriguez-Carvajal
- LHPM/Rietica - Brett Hunter
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