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[sdpd] Release of Reflex Plus 1.2
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Dear all,<br>
<br>
Accelrys, a new company formed by Molecule Simulations, Oxford Molecular,
Synopsis and GCG is happy to announce the release of Reflex Plus 1.2.
Reflex Plus, a complete package for crystal structure determination from
powder diffraction data, offers user friendly tools for diffraction
simulation, powder indexing, Pawley refinement, structure solution and
Rietveld refinement. The direct-space Powder Solve algorithm is used for
structure solution. Reflex Plus is fully integrated in the materials
modelling environment Materials Studio which provides extensive
functionality for model building and visualization.<br>
<br>
Version 1.2 of Reflex Plus features a variety of important enhancements,
including a new global optimization algorithm for structure solution
based on parallel tempering and the possibility to determine preferred
orientation parameters and structural parameters simultaneously during
the structure search. Using the March-Dollase preferred orientation
correction, it has been possible to solve crystal structures in the
presence of a significant amount of preferred orientation, certain
intensity rations being changed by as much as a factor of 50. Version 1.2
also offers a peak asymmetry correction based on fundamental parameters,
an easy-to-use interface to the indexing programs ITO, TREOR and DICVOL
and the possibility to generate of a full HTML report after Rietveld
refinement. Further enhancements are in preparation.<br>
<br>
Preliminary data sheets for Reflex and Reflex Plus can be found at:<br>
<br>
<font color="#0000FF"><u><a href="http://www.accelrys.com/pdf/mstudio/reflexplusA4.pdf"; eudora="autourl">http://www.accelrys.com/pdf/mstudio/reflexplusA4.</a><a href="http://www.accelrys.com/pdf/mstudio/reflexplusA4.pdf"; eudora="autourl">pdf</a></u></font>
<br>
<font color="#0000FF"><u><a href="http://www.accelrys.com/pdf/mstudio/reflexA4.pdf"; eudora="autourl">http://www.accelrys.com/pdf/mstudio/reflexA4.pdf</a><br>
<br>
</u></font>If you are interested in getting a free demo copy of Reflex Plus for evaluation, please contact:<br>
<br>
Europe<x-tab> </x-tab>: Rebecca Smith (<font color="#0000FF"><u>rsmith...@accelrys.com</u></font>)<br>
US <x-tab> </x-tab>: Christina Sciacca (<font color="#0000FF"><u>tina...@accelrys.com</u></font>)<br>
<br>
To see Reflex Plus in action, you may also attend the workshop on crystal structure determination from powder diffraction data at the ECM 20 in Krakow (<a href="http://www.ch.uj.edu.pl/ECM2001.htm"; eudora="autourl">http://www.ch.uj.edu.pl/ECM2001.htm</a>).<br>
<br>
Yours sincerely,<br>
<br>
Marcus A. Neumann<br>
<br>
<font face="Courier New, Courier"><br>
***********************************************<br>
* Dr. Marcus A. Neumann <br>
* Product Manager Crystallization and Analytical Instruments <br>
* Accelrys <br>
* 230/250 The Quorum <br>
* Barnwell Road, Cambridge, CB5 8RE, ENGLAND <br>
* Direct Line: +44 (0) 1223 402844 <br>
* Fax: +44 (0) 1223 413301 <br>
***********************************************</font>
<br>
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