Collaborative Computational Project Number 14

(CCP14)

For Single Crystal and Powder Diffraction
(Freely Available Crystallographic Software for Students and Academia)

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Crysfire on CCP14


Tutorials and Examples

CRYSFIRE Powder Indexing System for DOS/Windows by Robin Shirley et al

(February 2020 - New Crysfire2020 for Windows, Linux and Macintosh OS X)

The CCP14 Homepage is at http://www.ccp14.ac.uk
[Tutorials page] | [Crysfire What's New] | [LMGP Suite Chekcell Index] | [Powder Diffraction Indexing Resources]

[Installing CRYS | Overview | Basic Demonstration]

Referencing the Crysfire suite: If use of the CRYSFIRE suite makes possible a published paper, then both the CRYSFIRE suite itself and any indexing programs that contributed materially to this result should be cited in the references section of the paper.
CRYSFIRE Suite: R. Shirley , The CRYSFIRE System for Automatic Powder Indexing:


Robin Shirley 1941-2005

It is with great sadness that I have to announce that Robin died in hospital on Sunday, 27th March 2005. 



Robin Shirley 1941-2005 

Obtaining and installing Latest CRYSFIRE

NOTE: A graphical program for MS-Windows that links into CRYSFIRE to help check trial cells and determine spacegroups is the Chekcell software - part of the LMGP suite for Windows by Jean Laugier and Bernard Bochu.

The CRYSFIRE System by Robin Shirley  provides a link to the indexing programs:

  • Treor90 (Per-Eric Werner)
  • Ito12 (Jan Visser)
  • Dicvol91 (D. Louër)
  • Taup (Daniel Taupin) (also called Powder - Daniel Taupin's Index-Permutation program)
  • Kohl (Franz Kohlbeck)
  • FJZN (Jan Visser & R. Shirley)
  • Lzon (Robin Shirley, Daniel Louer & Jan Visser)
  • LOSHFZRF (Daniel Louer & Robin Shirley)
  • MMAP (R. Shirley)

  • (Importing peak files)
    • xf2crys - program for importing "Coehlo and Cheary's" XFIT Peak Profile files into CRYSFIRE CDT format. (default filename xfit.txt)

    • wf2crys - program for importing "Stefan Krumm's" Winfit Peak Profile files into CRYSFIRE CDT format.
    • udi2crys - program for Philips UDI peak find data files into CRYSFIRE CDT format.
    • eva2crys - program by Arie van der Lee for converting EVA DIF peak files into CRYSFIRE CDT files.
    • px2crys - program for importing "Cheng Dong's" Stefan Krumm peak find files into CRYSFIRE CDT format.
    • For help - (use /? command-line parameter (or -h for unix-oriented users)) - xf2crys /? or xf2crys -h
  • MERGESUM Program: Merges the CRYSFIRE summary files for different dataset names.
  • UNSCALE Program: Unscales large cell data that has been rescaled inside Crysfire
  • LePage by Ton Spek. Program: Finds the reduced cell and can also search for sub-cells and super-cells.


Talk notes relating to Crysfire


Obtaining and installing CRYSFIRE

NOTE: A graphical program for MS-Windows that links into CRYSFIRE to help check trial cells and determine spacegroups is the Chekcell software - part of the LMGP suite for Windows by Jean Laugier and Bernard Bochu.


Basic Demonstrations of CRYSFIRE Powder indexing Program


Overview of CRYSFIRE



[Tutorials page] | [Crysfire What's New] | [LMGP Suite Chekcell Index] | [Powder Diffraction Indexing Resources]
If you have any queries or comments, please feel free to contact the CCP14