[sdpd] Powder Diffraction SMRR-2002 : Results

[Armel Le Bail <alb...@cristal.org>]

Dear Powder Diffraction Experts,

The Search-Match Round Robin is closed and the results
are available at http://www.cristal.org/smrr/results/

You will find the contributions of 30 participants (thanks a lot
to them !), applying 10 search-match software to the identification
of 10 phases in 4 samples during 2 steps (with sample origin
knowledge and further with chemical knowledge).

The general conclusion is the following : "The SMRR-2002 shows
quite clearly how a good Search-Match software, in expert hands,
combined with an up-to-date PDF can perform efficiently in solid
state phase identification. Of course, this efficiency depends on the
PDF completeness, which is not realized yet for organic and
organometallic compounds, as shown by the thalidomide case of
sample 3, a so sadly famous molecule that it would be better to
identify it, whatever the polymorph. "

Discussion about these results is open here.

The organizers:
J.-M. Le Meins - L.M.D. Cranswick - A. Le Bail

 

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