[sdpd] Search-Match Round Robin (SMRR) - 2002 - Powder Diffraction

[Cristal <alb...@cristal.org>]

Dear Powder Diffraction Users,

Some news and a reminder about the SMRR-2002 :
   - since 2nd of May, more than 200 downloads of the data occurred,
   - two participants sent results very fast (before 4th of May),
   - both of them used the same software.

The deadline is June 15 for this search-match round robin first 
part (with few details on the 4 samples). It would be understandable 
if a mineralogist would be interested only in sample 1, or if a 
pharmaceutical chemist would not care about samples 1, 2 and 4.
It is not an obligation to send results on the 4 samples. Even
partial results for a single sample are quite acceptable for this
first part, given the low level of information on each sample.

Most of us perform a default search-match as a first test, or
selecting a PDF data subset, and then, if no clear suggestion
occurs, the search can be more restricted, using chemical 
knowledge. But that first default search is frequently positive
("could be a mixture of this and also this compound") and may 
reveal impurities that would not be detected by a more restrictive 
search. 

June 16,  the second part of the round robin will take place after more 
details on the sample chemistry will be given. The deadline for that 
second part will be June 30.

-----------

Results (phases identified and which method used to identify
each phase - e.g., search-match program X, Fink index, PDF2 CD-ROM, 
research experience) preferably including a screen image of the 
software incorporating the results (if relevant to the methods use)
are to be Emailed to:

  Jean-Marc Le Meins at JM.Le_Meins...@univ-mulhouse.fr

All participants are anonymous and all responses are given a 
receipt number so they can see their own results in comparison
to all the others.  

Visit one of the following Web sites for more details and for
downloading the round robin data:

http://www.cristal.org/smrr/
http://www.cristal.org/smrr/

CCP14 mirrors:
UK: http://www.ccp14.ac.uk/ccp/web-mirrors/armel/smrr/
US: http://ccp14.semo.edu/ccp/web-mirrors/armel/smrr/
CA: http://ccp14.sims.nrc.ca/ccp/web-mirrors/armel/smrr/
AU: http://ccp14.minerals.csiro.au/ccp/web-mirrors/armel/smrr/

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

Thank you from the organisers:

Jean-Marc Le Meins : JM.Le_Meins...@univ-mulhouse.fr 
                         (Universite Mulhouse et de Colmar, France)

Lachlan Cranswick : l.m.d.cranswick...@dl.ac.uk   
                         (CCP14 Project, Birkbeck University of London, UK)

Armel Le Bail : alb...@cristal.org                  
                         (Universite du Maine, France)

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





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