[sdpd] Derivative Difference Minimization

[Leonid Solovyov <l_solovyov...@yahoo.com>]

Dear Rietveld/SDPD users:

The Derivative Difference Minimization (DDM) program is now freely
available via the web:

http://krsk.info/icct/en/cont/persons/sol/ddm.html

  The program is designed for crystal structure analysis from powder
diffraction data by making use of either Rietveld or
Derivative Difference Minimization method
[L.A. Solovyov, J. Appl. Cryst. 37 (2004) 743-749]. 
  In the DDM method the refinement is aimed not at minimizing the
absolute difference between the experimental and calculated profiles
but at minimizing the oscillations (or curvature) of the difference
curve. The squared values of the difference curve derivatives are used
in DDM as a measure of the difference curvature. 
 The main advantage of this method is that it does not require the
background line modeling or approximations. Eliminating the systematic
errors caused by inadequate background definitions, DDM allows
structure refinemet with increased stability and precision.

Enjoy the freedom from the "background headache"!

Your comments and suggestions are welcome.
 
Best regards,
Leonid Solovyov
********************************************************
Leonid A. Solovyov
Institute of Chemistry and Chemical Technology
K. Marx av., 42
660049, Krasnoyarsk
Russia
Phone: +7 3912 495663
Fax:    +7 3912 238658
E-mail: leosol...@icct.ru
http://krsk.info/icct/en/cont/persons/sol
*******************************************************


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