Peak Profiling: high accuracy peak positions using Fundamental Parameters peak profiling in XFIT

• Example of Fundamental parameters (convoluting in the geometry elements of the diffractometer) that can provide accurate peak positions as though your sample was being run on an “ideal” diffractometer.

• Tutorial at:

  • http://www.ccp14.ac.uk/tutorial/xfit-95/fun1.htm

• Available Fundamental Parameters Peak Profiling and Rietveld software:

• XFIT (no longer maintained)

  • http://www.ccp14.ac.uk/tutorial/xfit-95/xfit.htm

• Topas (Commercial - sequel to XFIT)

  • http://www.bruker.com

• BGMN (Commercial - academic demonstration version is freely downloadable)

  • http://www.bgmn.de

• EFLECH/Index freeware from BGMN website

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