DBWS | Index | top

Functionality

• Structure Refinement

Costing

• Free

Operating System

• DOS executables are included compiled under Microsoft Fortran. Fully ANSI77 complient FORTRAN source code is also provided.

Availability

Pf. Ray Young
School of Physics
Georgia Institute of Technology
Atlanta, GA 30332 USA
Tel: 1-404-894-5208

E-mail : r.young@physics.gatech.edu

DBWS Friendly Programs

• DMPlot Shareware DOS Rietveld Plot Viewer
• RSD-PLOT Freeware DOS Rietveld Plot Viewer
• XPMA and ZORTEP Freeware DOS Crystal Structure Viewer
  • A program called rietconv can convert the DBWS input file into a Shelx format that can then be directly imported into XPMA.
• Atoms for Windows Commercial MS-Windows Crystal Structure Viewer

FULLPROF | Index | top

Functionality

• Structure Refinement

Costing

• Free

Operating System

• DOS and Mac

Availability

Precise documentation on obtaining and installing FULLPROF :-

bali.saclay.cea.fr/pub/divers/fullp/fpreadme

Or contact :-

Juan Rodriguez-Carvajal
Laboratoire Leon Brillouin (CEA-CNRS)
Saclay,France

E-mail : juan@bali.saclay.cea.fr

FULLPROF Friendly Programs

• DMPlot Shareware DOS Rietveld Plot Viewer
• DRXwin Shareware MS-Windows Search-Match Software Can View Fullprof Rietveld Plots

RIQAS | Index | top

Functionality

• Quantitative Analysis

Costing

• Commercial

Operating System

• DOS

Availability

Q. Johnson
Materials Data, Inc.
P.O. Box 791
Livermore, CA 94551
510-449-1084 (phone)
510-373-1659 (FAX)

E-mail : xrd@aol.com

RIQAS Features

• Menu Driven
• In-built display of difference plots
• Batch Processing

GSAS | Index | top

Functionality

• Structure Refinement

Costing

Free

Operating System

• DOS (Runs in Windows 3.1, Windows 95, OS/2, but not Windows NT)

Availability

Contact :- Robert Von Dreele

E-mail : vondreele@lanl.gov

GSAS Features

• Menu Driven
• In-built display of difference plots
• Macro Based Language for Batch Processing
• Structure and Quantitative Analysis
• Neutron Time Of Flight Analysis
• Single Crystal Structure Refinement with Patterson Map Capability
• Multiple Phase Capability
• Multiple Data/Combined X-ray/Neutron Data Capability.
• Commensurate Magnetic Structures (Neutron Data),
• Rigid Bodies & Soft Restraints.
• Integrated Fourier viewing and manipulation
• Structure Drawing (ORTEP).
• Can Use Variable Step or Variable Count Time Powder Diffraction Data.
• Graphical Hard Copy output to Postscript Printers or HPGL printers
• Can create VRML files of Structures
• Runs in Windows 3.1, Windows 95, OS/2, but not Windows NT.

GSAS Friendly Programs

• DMPlot Shareware DOS Rietveld Plot Viewer
• RSD-PLOT Freeware DOS Rietveld Plot Viewer (for GSAS standard powder file)
• GSAS HIST to IGOR-PRO converter fortran code and macro

SiroQuant | Index | top

Functionality

• Quantitative Analysis

Costing

• Commercial

Operating System

• MS-Windows

Availability

http://www.sietronics.com.au

Queries can be send to :-

Don Williams

Sietronics Pty Ltd
PO Box 3066
Belconnen ACT, 2617
Australia.

Tel: (616) 251-6611
Fax: (616) 251-6659

E-mail : sietron@ibm.net

SiroQuant Features

• Menu Based for Windows
• Designed for Quantitive Powder XRD Phase Analysis
• Poorly crystalline structures (clays) are included.
• 300 common mineral phase library
• Tasks up to 25 phases, 100 variables
• In-built display of difference plots Range of Result and Plot Printout options

Philips Quasar | Index | top

Functionality

• Quantitative Analysis

Costing

• Commercial

Operating System

• MS-Windows

Availability

Quasar Features

• Menu Based
• Designed for Quantitive Phase Analysis
• Refinement of amorphous content with an internal standard

FAT-Rietan | Index | top

Functionality

• Structure Refinement

Costing

• Free

Operating System

• DOS and Mac

Availability

ftp.nirim.go.jp/pub/sci/rietan

Or Contact :-

Fujio Izumi,
National Institute for Research in Inorganic Materials
1-1 Namiki, Tsukuba, Ibaraki 305, Japan
TEL: 0298-51-3351
FAX: 0298-52-7449

E-mail : izumi@nirim.go.jp

FAT-Rietan Friendly Programs

• DMPlot Shareware DOS Rietveld Plot Viewer can be used as FAT-Rietan can output plot files in DBWS format
• RSD-PLOT Freeware DOS Rietveld Plot Viewer
• ORFEE is included for bond length and angle calculations
• The shareware PLOT for DOS is included in the DOS version for viewing Rietveld difference plots
• RIETPLOT for MS-Windows is included in the DOS version for viewing Rietveld difference plots
• SigmaPlot, Commercial DOS/MS-Windows/Mac Scientific Graphing Software can be used for viewing Rietveld Plots as FAT-Rietan can output plot files in an ASCII column format
• DPLOT, free MS-Windows Scientific Graphing Software can be used for Viewing Rietveld Plots for the above reason
• Optimised to work with Igor-Pro, Commercial Mac Scientific Graphing Software for Viewing Rietveld Plots

Philips PC-Rietveld | Index | top

Functionality

• Structure Refinement

Costing

• Commercial

Operating System

• DOS

Availability

PC-Rietveld Features

• Menu Based

ARITVE | Index | top

Functionality

• Rietveld Refinement of Glassy Phases

Costing

• Free

Operating System

• DOS and Windows executables with source code.

Availability

World Wide Web :-

http://fluo.univ-lemans.fr:8001/aritve.html

Or contact :-

Armel Le Bail
Laboratoire des Fluorures, CNRS-URA-449,
Université du Maine
F-72017 Le Mans Cedex, FRANCE
E-mail : armel@ONE.univ-lemans.fr

or

E-mail : armel@fluo.univ-lemans.fr

ARITVE Friendly Programs

• DMPlot Shareware DOS Rietveld Plot Viewer

RIET7/SR5 | Index | top

Functionality

• Rietveld Structure Refinement

Costing

• Free

Operating System

• DOS

Availability

ftp.minerals.csiro.au/pub/xtallography/sr5

Or contact :-

Ian Madsen
CSIRO Division of Minerals,
339 Willaimstown Rd, Port Melbourne,
Australia, 3207
E-mail : ian.madsen@minerals.csiro.au

RIET7/SR5 Features

• Sequel to LHPM
• Refines Variable Count Time Data (Hill and Madsen)
• Variable Count Time Software and Code for Philips Diffractometers Included
• Fourier Calculation and Viewing via FORDAP Software

Riet7/SR5 Friendly Programs

• "FORDAP" Fourier Map Generation and Viewing Included.
• DMPlot Shareware DOS Rietveld Plot Viewer
• XPMA, ZORTEP and Rietconv Freeware DOS Crystal Structure Viewer
• Atoms for Windows Commercial MS-Windows Crystal Structure Viewer
• DRXwin Shareware MS-Windows Search-Match Software Can View RIET7/SR5 Rietveld Plots

ANSTO LHPM | Index | top

Functionality

• Rietveld Structure Refinement

Costing

• Free

Operating System

• DOS/Windows and Native Win95 version with GUI

Availability

ftp://ftp.ansto.gov.au/pub/physics/neutron/rietveld

Or contact :-

Dr Brett Hunter
Building 58, ANSTO,
Private Mail Bag 1, Menai, NSW
2224, Australia
Work: 61-2-9717-3338
Fax: 61-2-9717-3606

E-mail : bah@atom.ansto.gov.au

ANSTO LHPM Features

• ANSTO Sequal to the ANSTO/CSIRO LHPM
• Windows 95 version is in the rietica subdirectory
• Windows 95 version has excellent full GUI interface
• Can handle multiple datasets - neutron and X-ray
• Ability to calculate and refine neutron time-of-flight data
• Fourier Output and Viewing
• Ability to refine wavelengths
• Ability to read new data formats, including higher precision 2theta values in the input and data files, and a listed format datafile consisting of rows of 2q, Intensity (and optionally weight(Intensity))
• Addition of a new peak shape specifically for TOF (Jorgensen Peak Shape)
• Ability to stop calculation of weak peaks, such as for large monoclinic cells in multiphase systems
• New background functions to deal with amorphous background contributions
• Each histogram can have it’s own scattering form factors/lengths, so can be used in anomalous scattering experiments. The ability to refine f’ and f’’ now allows extra flexibility with synchrotron diffraction data.

ANSTO LHPM Friendly Programs

• XPMA, ZORTEP and Rietconv Freeware DOS Crystal Structure Viewer
• Atoms for Windows Commercial MS-Windows Crystal Structure Viewer

XND | Index | top

Functionality

• Rietveld Structure Refinement

Costing

• Free

Operating System

• DOS

Availability

ftp://rx-crg1.polycnrs-gre.fr/dist/xnd

HTML/English Manual at
http://rx-crg1.polycnrs-gre.fr/public/xnd/xnd.html

Or contact :-

J.-François Bérar
Laboratoire de Cristallographie - CNRS,
BP 166, 38042 Grenoble CEDEX 09, France

E-mail : berar@polycnrs-gre.fr

XND Features

• Can handle Incommensurate/modulated Structures
• Multiple datasets
• Varying temperature

SIMREF and SIMPRO | Index | top

Functionality

• Rietveld Structure Refinement

Costing

• Free

Operating System

• DOS

Availability

http://www.uni-tuebingen.de/uni/pki/simref/simref.html

and

http://www.uni-tuebingen.de/uni/pki/simref/simpro.html

Or contact :-

Harald Ritter
Institut für Kristallographie der Universität Tübingen
Charlottenstraße 33, D-72070 Tübingen
phone: ++49(0)7071 / 2976389

E-mail : harald.ritter@uni-tuebingen.de

SIMREF Features

• Can handle Incommensurate/modulated Structures
• Multiple datasets

Koalariet for Win95 | Index | top

Functionality

• Fundamental Parameters Rietveld Refinement

Costing

• Free

Operating System

• Win95 (only)

Availability

ftp://ftp.minerals.csiro.au/pub/xtallography/koalariet

Or contact :-

Alan Coehlo
CSIRO Division of Minerals
Box 312, Clayton South, Melbourne
Victoria, Australia, 3169
Tel: (613) 9545-8500
Fax: (613) 9562-8919

E-mail : alan.coelho@minerals.csiro.au

Koalariet Features

• High Stability Fundamental Parameters Approach
• Handles peak assymmetry, linear absorption, etc as part of Fundamental Parameters
• Peak Profiling using XFIT interface and engine
• In-built equation editor
• Unlimited number of phases, parameters, measuring points etc
• Multiple datasets

BGMN | Index | top

Functionality

• Fundamental Parameters Rietveld Structure Refinement and Quant Analysis

Costing

• Commercial

Operating System

• Structure Refinement for Win95, DOS, WIN-NT, OS/2, Linux and Unix systems

Availability

http://www.mineral.tu-freiberg.de/mineralogie/bgmn/

Or contact :-

Dr. J. Bergmann
Ludwig-Renn-Allee 14
Dresden, Germany
E-mail : bergmann@rcs.urz.tu-dresden.de

and/or

Dr. R. Kleeberg
TU Mining Academy Freiberg
Freiberg, Germany
E-mail : kleeberg@hrz.tu-freiberg.de

and/or

Dr. T. Taut
SEIFERT-FPM GmbH
Mineralogical Institute, Germany
E-mail : thomas.taut@do.netsurf.de

BGMN Features

• High Stability Fundamental Parameters Approach
• Handles peak assymmetry, linear absorption, etc as part of Fundamental Parameters
• Fully automatic calculation which requires no user interaction
• Quant Analysis
• Easy-to-use model for refinement of site occupancy
• Refinement of amorphous content with an internal standard
• Unlimited number of phases, parameters, measuring points etc
• Correction of microabsorption with the Brindley model
• Automatic correction of strong and multiple preferred orientation with spherical harmonics
• Common model for anisotropic peak broadening
• Phase analysis of distorted layer silicates by implementation of advanced real structure models (e.g. for kaolinite and chlorites)
• Special features for structure investigation and refinement

XRS-82 | Index | top

Functionality

• Rietveld Structure Refinement and Analysis

Costing

• Free

Operating System

• DOS

Availability

http://kristall.erdw.ethz.ch/software/xrs/

Or contact :-

Ralf Grosse-Kunstleve
Laboratory of Crystallography,
ETH Zürich, Switzerland.

E-mail : ralf@kristall.erdw.ethz.ch

XRS-82 Features

• Collection of programs for crystal structural analysis with powder diffraction
• Structure solution and refinement of zeolites