New Version of Chekcell graphical powder indexing helper tool

L. Cranswick l.m.d.cranswick at dl.ac.uk
Tue Apr 9 10:33:55 EST 2002


There is a new version of the Chekcell for Windows graphical powder 
indexing helper tool by Jean Laugier and Bernard Bochu.  Chekcell
helps with visual cell and spacegroup identification as part of
the powder indexing process.  It also includes Z/Density/Molecular
Volume Explorer, Truecell, Graphical Cell transformation, 
and Ton Spek's LePage for finding the reduced cell - and sub-cell /
super-cell searching (A. L. Spek, J. Appl. Cryst., 21, (1988), 578-579)

Using LePage (and Truecell) can get around the problem described in
the 1957 M. J. Buerger Zeit. Krist. Paper on "Reduced Cells".
('Reduced Cells', M.J. Buerger, (Zeitschift fur Kristallographie, 
BD 109, S. 42-60 (1957))
  Some relevant extracts of this paper are at:
   http://www.ccp14.ac.uk/solution/indexing/reduced_cell.html

Chekcell interlinks into Robin Shirley's Crysfire powder indexing
suite (that links with 8 different indexing programs: treor, ito,
dicvol, taup(powder), kohl(tmo), fjzn, lzon and losh)

Crysfire Suite:
   http://www.ccp14.ac.uk/tutorial/crys/

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Bugs fixed:

 1) TAUP gives momoclinic cells with the unique axis c. Chekcell now 
 detects automatically this setting and display the solutions 
 as b axis monoclinic cells.  (pointed out by Andrzej Grzechnik) 

 2) When the user manually added a cell to the Crysfire list, chekcell 
 displayed V1/V instead of V/V1!  (pointed out by Eugene Cheung). 
 This has now been fixed. 

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Chekcell Tutorials:
  http://www.ccp14.ac.uk/tutorial/lmgp/index.html#chekcell

Download:
  http://www.ccp14.ac.uk/ccp/web-mirrors/lmgp-laugier-bochu/
  http://ccp14.sims.nrc.ca/ccp/web-mirrors/lmgp-laugier-bochu/
  http://ccp14.semo.edu/ccp/web-mirrors/lmgp-laugier-bochu/
  http://ccp14.minerals.csiro.au/ccp/web-mirrors/lmgp-laugier-bochu/

Lachlan.



-- 
-----------------------
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,
                Birkbeck College,
                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
WWW: http://www.ccp14.ac.uk/





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