Updated Crysfire 2002 powder indexing suite by Robin Shirley

L. Cranswick lzc at dl.ac.uk
Sun Sep 15 12:54:02 EST 2002

There is a new 15th September 2002 version of the Crysfire powder
indexing suite by Robin Shirley.

Main updates are:

 New importer for peak list files generated by Cheng Dong's PowderX program

 Much tidying and tuning of MMap (both visible and behind the scenes),
  especially to the solution-refinement phase which now uses dynamic
  damping and restraints, giving a speed-up in refinement of c.10-20%,
  with guaranteed non-divergence in certain pathological cases. The user
  is also now able to advise MMap on the general quality of the dataset
 Major improvements to self-calibration, including histograms of the
 suggested corrections and the ability to re-cycle manually until one has
 converged on a good estimate.  Tutorials on this at:
   Simple self calibration of peak positions using Crysfire: 
   More complicated self calibration of peak positions using Crysfire:

General Crysfire Tutorials are at:



UK:  http://www.ccp14.ac.uk/ccp/web-mirrors/crys-r-shirley/crysinst.zip
CA:  http://ccp14.sims.nrc.ca/ccp/web-mirrors/crys-r-shirley/crysinst.zip
US:  http://ccp14.semo.edu/ccp/web-mirrors/crys-r-shirley/crysinst.zip


Crysfire also interlinks with the Chekcell graphical helper indexing tool
for Windows by Jean Laugier and Bernard Bochu.  

Chekcell Tutorials


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


Lachlan M. D. Cranswick

Collaborative Computational Project No 14 (CCP14)
    for Single Crystal and Powder Diffraction
  Birkbeck University of London and Daresbury Synchrotron 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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