[sdpd] UPPV-11-2 solution : apotheosis - No new problem

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

Hi,

The UPPWs saga ends in apotheosis.

There is a complete consensus for UPPW-11 (part 2) on an
obvious monoclinic cell giving very high figures of merit
from both the synchrotron and the new conventional X-ray data.

Most participants were curious to compare with the ICDD
PDF 43-1748 and 46-1964 Grant-in-Aid entries, and found that
both had a large zeropoint error (~ -0.10°2-theta) and more
or less impurity lines (8 impurity lines among the first 25
ones for 43-1748 and 3 among the first 32 for 46-1964).

Moreover, one participant (Jacco van de Streek, CCDC) proposes
the crystal structure solved by using DASH.

http://www.cristal.org/uppw/uppw11-2.html#RESULTS
This was the ultimate UPPW (unless you insist for having more ;-). Most
people complain that this is too much work. Anyway, there is enough matter for
writing some interesting conclusions.

An idea is to build a benchmark system from these UPPWs,
which would allow to test the efficiency of any indexing software.

A final report about this round robin will be available in 2 or 3 months.

Best regards,

Armel




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