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Re: [sdpd] Rietveld and Crystallography

At 02:39 PM 2/7/02 +0100, you wrote:
>
>>    Could somedy provide me some informations about Powder
>>Diffraction and Rietveld Method usage in pharmaceutical area,
>>or a website containing some informations about this application
>>of powder diffraction techniques and analysis??
>
>SDPD (Structure Determination by Powder diffractometry) is
>more and more applied to pharmaceutical areas. Clues about
>that can be seen at :
>
>http://www.icdd.com/
>Using the search option with "pharmaceutical" returns 44
>entries among which you can find the PPXRD symposium.
>This was a strong indication that ICDD felt recently more
>concerned by pharmaceutical areas. 

Dear Armel (and others),

ICDD have had an agreement in place with the Cambridge Crystallographic
Data Centre for 3 years now, which allows ICDD to calculate and distribute
powder patterns from the entire Cambridge Structural Database (i.e. organic
and organometallic small molecule crystal structures). It has taken some
time to process the entire database (which is now over 250,000 entries in
size) as many have problems such as disorder etc. where decisions have had
to be made about how to handle this in pattern calculation. But this is now
essentially complete and ICDD will, all being well, be releasing a
relational database product, as yet unnamed, by the end of 2002, which will
include all the recorded organic patterns from the PDF alongside the
calculated patterns for the organic entries from the CSD. 

ICDD are also planning a second PPXRD event for October or November this
year, to be held at their Newtown Square, PA, USA headquarters.

So, things are moving !

Cheers,

Steve Maginn,
CCDC, UK


=====================================================

Dr. Stephen J. Maginn,
Support and Marketing Manager,
Cambridge Crystallographic Data Centre (CCDC),
12 Union Road,
Cambridge CB2 1EZ, UK

phone +44 (0)1223 762534
FAX    +44 (0)1223 336033
e-mail   maginn...@ccdc.cam.ac.uk

http://www.ccdc.cam.ac.uk

=====================================================



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