2nd Summary of Programs for Powder Data that can refine

Lachlan Cranswick ( lachlan@melbpc.org.au )
Fri, 04 Jul 1997 04:37:29 +1000

2nd Summary of Programs for Powder Data that can refine=20
Incommensurate/Modulated Structures
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Hi,

Thanks again for all the responses.

Updates over old version are:
JANA-SDS Homepages and FTP sites (Jana96, Jana94 and SDS94)
Correction on Harald's E-mail addresses (adding the .de)
Accurate info on GJANA

A few more Queries are:
Is MXD generally available?
What indexing options for are available for Incommensurate/Modulated=20
structures for powder diffraction data?

Cheers,

Lachlan.

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MXD, written by Pierre Wolfers???

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GJANA
B.Zh Narymbetov: Inst. Solid. State Chemistry=20
L.V. Zorina Russian Academy of Sciences
Chernogolovka, Moscow District 142432
Russia
E-mail: narym@issp.ac.ru

EPDIC-5: "Modification of the program for refinement
of modulated structures - GJANA"

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PREMOS91/REMOS - UNIX/VMS
Programs for Modulated Structures
remos: leastsquares program for the refinement of modulated=20
structures for a single crystal.=20
premos: the powder version of remos.=20
modplt: a program for plotting modulation functions.=20
prjms: a program for plotting modulated structure in 3D space.=20
=20
Akiji Yamamoto - NIRIM, Japan
E-mail: yamamoto@nirim.go.jp
Premos/Remos Homepage:
http://www.nirim.go.jp/~yamamoto/

Superspace groups for 1D and 2D Modulated Structures.
http://www.nirim.go.jp/~yamamoto/spgr.html

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XND - DOS/UNIX
A Rietveld Refinement Program for Real Time Powder
Diffraction Patterns=20
J.-Fran=E7ois B=E9rar - Laboratoire de cristallographie - CNRS
E-mail: berar@polycnrs-gre.fr=20
Files Downloadable at:
ftp://rx-crg1.polycnrs-gre.fr/dist/xnd
Manual in html/English at:
http://rx-crg1.polycnrs-gre.fr/public/xnd/xnd.html

The tar.Z file contains more of the example files. Use Winzip=20
beta to extract if you are on a PC (http://www.winzip.com)

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SIMPRO 1.2 - DOS/Windows/UNIX
Full Powder Pattern Fitting Program.
Harald Ritter - Institut f=FCr Kristallographie der Universit=E4t T=FCbingen
E-mail: harald.ritter@uni-tuebingen.de
http://www.uni-tuebingen.de/uni/pki/simref/simpro.html

Manual in Postscript Format.

SIMREF 2.4 - DOS/Windows/UNIX
Simultaneous Rietveld Refinement with Multiple Powder Datasets.
H. Ritter, J. Ihringer, J.K. Maichle and W. Prandl
- Institut f=FCr Kristallographie der Universit=E4t T=FCbingen
E-mail: harald.ritter@uni-tuebingen.de
http://www.uni-tuebingen.de/uni/pki/simref/simref.html

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JANA96 - DOS, UNIX & Open VMS
Computing system for modulated and ordinary structures=20
JANA96 is system for solving and refining regular, modulated and=20
composite structures from monocrystal diffraction data.
Vaclav Petricek & Michal Dusek - Institute of Physics,=20
Academy of Sciences of the Czech Republic
E-mail: petricek@fzu.cz and dusek@fzu.cz

New features of JANA96 (New version June 1997 version is available)
graphics user interface=20
ability to solve both ordinary and modulated structures=20
possibility to use three optional integration methods in the refinement=
=20
easy superspace approach to the commensurate modulated structures=20
improved testing of overlaps in "almost" commensurate structures=20
possibility to calculate distances and angles in composites=20
possibility to draw t plots of modulated parameters=20
improved and extended Contour program=20

Jana Homepage (including manual changes) at:
http://www-xray.fzu.cz/jana/jana96.html

Download the program at:
ftp://ftp.fzu.cz/pub/cryst/jana96
or
ftp://ftp.unige.ch/pub/soft/crystal/jana/jana96

Jana94=20
Computing system for modulated structures=20
Homepage:
http://www-xray.fzu.cz/jana/jana.html
Downloadable:
ftp://ftp.fzu.cz/pub/cryst/jana94
JANA94 is computing system for solving and refinement of=20
monocrystallic modulated crystal structures.

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SDS 94 Computing system for ordinary structuresSDS94 is computing system for solving and refinement of monocrystallic=20ordinary crystal structures. It consists of several independent programs=20which do all the work from data reduction to the refinement and distances=20calculation.=20Vaclav Petricek - Institute of Physics,=20 Academy of Sciences of the Czech RepublicE-mail: petricek@fzu.cz=20

Programmes included in the package EDITM9 Program for creation of input reflection file=20 PRELIM Program for creation of crystallographic information file=20 AVERAGE Program for averaging of symmetrically equivalent intensities==20 FOURIER Program for the Fourier syntheses and local extremes search=20 CONTOUR Program for drawing of Fourier maps=20 REFINE Refinement program=20 DIST Program for distances calculation=20 EDITM40 Program for editing of structural information file=20

Homepage: http://www-xray.fzu.cz/jana/sds.html =20Download the program at: ftp://ftp.fzu.cz/pub/cryst/sds94

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Lachlan Cranswick - Melbourne, Australia _--_|\ =20Phone/Fax : (613) 9455-1345 / \E-mail : lachlan@melbpc.org.au \_.--._/Mobile Phone/Voice Mail : 0412-1141-31 vCrystallographic WWW : http://www.unige.ch/crystal/stxnews/stx/volnteer.htm