RIET: No 20: IUCr Commission on Powder Diffraction Newsletter

L. Cranswick ( L.M.D.Cranswick@dl.ac.uk )
Tue, 1 Sep 1998 10:13:03 +0100 (BST)

No 20: IUCr Commission on Powder Diffraction Newsletter on the Web
EXTENDED SOFTWARE/METHODS DEVELOPMENT ISSUE

For those who have not received hard-copies, the latest edition of
the IUCr Commission on Powder Diffraction Newsletter is viewable
on the web at:

http://www.iucr.org/iucr-top/comm/cpd/Newsletters/no20summer1998/

Or if speed is an issue, at the following regional mirrors:
http://www.ch.iucr.org/iucr-top/comm/cpd/Newsletters/no20summer1998/
http://www.fr.iucr.org/iucr-top/comm/cpd/Newsletters/no20summer1998/
http://www.se.iucr.org/iucr-top/comm/cpd/Newsletters/no20summer1998/
http://www.il.iucr.org/iucr-top/comm/cpd/Newsletters/no20summer1998/
http://www.us.iucr.org/iucr-top/comm/cpd/Newsletters/no20summer1998/
http://www.za.iucr.org/iucr-top/comm/cpd/Newsletters/no20summer1998/

This edition carries a number of invited articles including the
latest on many software packages; Southampton Combined EXAFS/Rietveld,
XND Rietveld, BGMN Rietveld, Beartex Texture, Rietica/LHPM GUI
Rietveld, Rietan Rietveld, GUI Powdercell for Windows, AXES Powder
Diffraction Software, Fullprof98 and WinPlotr Rietveld.

Reviews of workshops, opinions, new algorithms/approaches in Powder
Diffraction such as Fundamental Parameters, Genetic Algorithms, Rietveld
and Line Profile Analysis; Dealing with Microabsorption in Quantiative
Phase Analysis, 50 Years of Structure Solution from Powder Diffraction
and examples of Solving Structures from Powder Data.

Programming for Crystallography using Tcl/Tk and Programming for
Crystallography using Java. Included is a review article on Memetic
Algorithms applied to Crystallography and "Evolving new algorithms"
exploring the possibility that "Maybe the world's leading powder
crystallographer in 30 years is an algorithm generated through
simulated evolution on a parallel computer with ten million
Merced-9 CPUs?"

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Thanks must go to Philips (http://www.analytical.philips.com)
and Siefert (http://www.roentgenseifert.com) for the commercial
advertising that made this edition of the newsletter possible.

===========================

Articles Authors and Titles Are as Follows
(with hardcopy page numbers):

Bob Cernik, "CPD Chairman's Message" p2

Lachlan Cranswick, "Guest Editor's Comments" p2

Kern Arnt-Andreas, "EPDIC6 Workshop Announcement on
Fundamental Parameter Approach" p3

Jean-Francois Berar & Gianguido Baldinozzi, "Xnd code:
from X-ray laboratory data to incommensurately modulated
phases. Rietveld modelling of complex materials." p3-5

Joerg Bergmann, Peter Friedel & Reinhard Kleeberg, "BGMN
- a new fundamental parameters based Rietveld program for
laboratory X-ray sources, it's use in quantitative
analysis and structure investigations. p5-8

Norman Binsted, Maria Pack, Mark Weller, and John Evans,
"The Southampton Combined EXAFS and Powder Diffraction
Program" p8-9

Bryan Chakoumakos, "Call for Proposals for Time on the
Oak Ridge High Flux Isotope Reactor" p9

Daniel Chateigner, "Practical experience of BEARTEX,
the Berkeley texture package" p10-12

Alan Coelho, Kern Arnt-Andreas, and Bob Cheary, "A
Fundamental Parameters Convolution Based Approach to
Synthesizing Line Profiles" p14

David Cox and Peter Stephens, "Workshop on Using Powder
Data to Solve Crystal Structures, May 18th, 1998,
Brookhaven National Laboratory" p15

Lachlan Cranswick, "CCP14 (Collaborative Computational
Project Number 14 for Single Crystallography and Powder
Diffraction)" p16

Gordon Cressey & Meryl Batchelder, "Dealing with
Absorption and Microabsorption in Quantitative Phase
Analysis" p16-17

Syb Gorter & Deane K. Smith, "World Directory of Powder
Diffraction Programs" p18

S. P. Sen Gupta "ISPD'98 : An International School on
Powder Diffraction" p18

Kenneth Harris, Roy Johnston and Benson Kariuki,
"Evolving Techniques in Powder Structure Solution -- an
Introduction to the Genetic Algorithm" p19-21

Brett Hunter, "Rietica - A visual Rietveld program." p21

Fujio Izumi, "Recent Advances in the Rietveld-Analysis
Program Rietan" p22-23

James Kaduk, "Solving Crystal Structures Ab Initio Using
Powder Diffraction Data" p24-25

Werner Kraus & Gert Nolze, "PowderCell as teaching
tool" p27-29

Armel Le Bail, "50 Years of Structure Determination
from Powder Diffraction - Some Statistics" p29-30

Matteo Leoni and J. Ian Langford, "Line Profile Analysis
and the Rietveld Method: crossing paths?" p30

Hugo Mandar and Toivo Vajakas, "AXES - a software toolbox
in powder diffraction" p31-32

Pablo Moscato, "Memetic Algorithms for molecular
conformation and other optimization problems" p32-33

Roland Olsson, "Computer programming and mathematical
modeling using evolutionary computation" p34

Juan Rodriguez-Carvajal & Thierry Roisnel, "FullProf.98
and WinPLOTR New Windows 95/NT Applications for
Diffraction" p35-36

Ian Swainson and Bruce Torrie, "3rd Canadian Powder
Diffraction Workshop" p36

Brian Toby, "GUI-based tools for Powder Diffraction
Analysis Using Tcl/Tk" p37

Steffen Weber, "Aspects on using Java in
crystallography" p38-39

What's On p40

Call for Contributions to the Next CPD Newsletter p40

How to Received the IUCr Commission on Powder Diffraction
Newsletter p40

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Lachlan M. D. Cranswick
Collaborative Computational Project No 14 (CCP14)
for Single Crystal and Powder Diffraction
Daresbury Laboratory, Warrington, WA4 4AD U.K
Tel: +44 (0)1925-603703 Fax: +44 (0)1925-603124 Room C14
E-mail: l.cranswick@dl.ac.uk
CCP14 Webpage (Under heavy construction):
http://www.ccp14.ac.uk