New CRYSFIRE for DOS/Windows Powder Diffraction Indexing Suite

Lachlan Cranswick l.cranswick at dl.ac.uk
Tue Jul 25 03:23:09 EST 2000


There is a new version of CRYSFIRE for DOS/Windows (sequel to Crys2run) 
Powder Indexing System by Robin Shirley. 

New features include: 

 i)   Self calibration now has the ability to use a sample displacement 
        option. This is new  maths and at the time of release (July 2000) 
        is unpublished. 
 ii)  New version of Kohl with options to increase the restriction of cells 
        searched. 
 iii) A program called "scdist" is included with the example test and data 
        files for generation of simulated powder patterns including the 
        option of sample displacement effects. 
 iv)  "udi2crys" - program for Philips UDI peak find data files into 
        CRYSFIRE CDT format.  (already handles Winfit and XFIT formats)
 v)   "crys2cif" - Convert a Crysfire CDT file into IUCr CIF format. 
 vi)  Various cosmetic changes including minor bug fixes. 
 vii) Still links into 8 different indexing programs included with 
        the distribution: 
           treor, ito, dicvol, taup, kohl, fjzn, lzon and losh 

Crysfire Information and Tutorials page:
  
   http://www.ccp14.ac.uk/tutorial/crys/

Crysfire download:
 UK:        http://www.ccp14.ac.uk/ccp/web-mirrors/crys-r-shirley/  
 Canada:    http://ccp14.sims.nrc.ca/ccp/web-mirrors/crys-r-shirley/
 Australia: ftp://ftp.minerals.csiro.au/pub/xtallography/ccp14/ccp/web-mirrors/crys-r-shirley/

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

Also, Chekcell for Windows (part of the LMGP suite Jean Laugier and 
Bernard Bochu) links into Crysfire enabling graphical interpretation of 
the Crysfire SUM Summary file. 

LMGP Suite tutorials page:
  
  http://www.ccp14.ac.uk/tutorial/lmgp/index.html
  
Chekcell for Windows download:
  
 UK:        http://www.ccp14.ac.uk/ccp/web-mirrors/lmgp-laugier-bochu/
 Canada:    http://ccp14.sims.nrc.ca/ccp/web-mirrors/lmgp-laugier-bochu/
 Australia: ftp://ftp.minerals.csiro.au/pub/xtallography/ccp14/ccp/web-mirrors/lmgp-laugier-bochu/

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

Lachlan.

-------
Lachlan M. D. Cranswick

Collaborative Computational Project No 14 (CCP14)
    for Single Crystal and Powder Diffraction
Daresbury Laboratory, Warrington, WA4 4AD U.K
Tel: +44-1925-603703  Fax: +44-1925-603124
E-mail: l.cranswick at dl.ac.uk  Ext: 3703  Room C14
                           http://www.ccp14.ac.uk








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