Minor Crysfire 2000 powder indexing suite update
lzc at dl.ac.uk
Tue Jul 9 10:15:19 EST 2002
There is an upgrade version of the CRYSFIRE Powder Indexing Suite by Robin
Shirley. This minor version has bugfix updates of the UDI2crys, WF2crys
and XF2crys file converter programs. There were circumstances that made
them act incorrectly if the user didn't want to overwrite an existing
dataset. This has been fixed.
Crysfire Tutorials at:
Crysfire also interlinks with the Chekcell graphical helper indexing tool
for Windows by Jean Laugier and Bernard Bochu. There is a new 7th July
2002 version of Chekcell available with improved LePage - Chekcell
interconnectivity for evaluating sub-cells and super-cells.
PS: Information relating to the as yet UNRELEASED Crysfire 2002
Crysfire 2002 (despite being advertised for release in June 2002) is
still in alpha/beta testing stage to find as many bugs as possible and
enhance its usability. When Crysfire 2002 appears, this will have the
Mmap merit mapping function; as well as not requiring the quitting of
crysfire to run an indexing program; or the requirement of reloading
the CDT file after each powder indexing trial. Starting Indexing
runs will also be more intuitive with a new "IN" (INdex) command.
For large volume cell data, Crysfire 2002 will include default
advice on using rescaling and optimum rescaling factors.
For those who try to index on the limit of the abyss of impossibility
(by having less than 20 peaks) - the new Crysfire 2002 will have "pattern
extension" to trick various programs that insist of having not less than
20 peaks into still running.
Lachlan M. D. Cranswick
Collaborative Computational Project No 14 (CCP14)
for Single Crystal and Powder Diffraction
Birkbeck University of London and Daresbury Laboratory
Postal Address: CCP14 - School of Crystallography,
Malet Street, Bloomsbury,
WC1E 7HX, London, UK
Tel: (+44) 020 7631 6850 Fax: (+44) 020 7631 6803
E-mail: l.m.d.cranswick at dl.ac.uk Room: B091
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