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Re: [sdpd] UPPW-1



Dear Armel

> Every week, a problem to solve will be proposed, you can send solutions
> at uppw...@cristal.org (provide the software name, the cell, the M20 and
> F20 figures of merit and more if you wish). These solutions, if any,
> will be summarized at the SDPD mailing list the next week, while a new
> problem will be offered. Anonymity will be ensured, unless the contrary
> is specified.

Your proposal is interesting, but is it intended primarily as a game or
as a service to science?  If the latter, then I think it would be more
realistic if other relevant data were provided, except of course where
there's really no further information.

What I have in mind, if available and applicable, is:

1) Sample preparation & purity, as far as is known
2) Radiation source (lab source? synchrotron? which one?)
3) Wavelength(s) used, if applicable
4) Instrument geometry used
5) Internal standard used, if any
6) Corrections applied, if any
7) And of course a profile would also be nice, if you have one

With best wishes

Robin Shirley

-------------------------------------------

To:            sdpd...@yahoogroups.com
From:          Armel Le Bail <alb...@cristal.org>
Date:          Mon, 20 Oct 2003 14:44:47 +0200
Subject:       [sdpd] UPPW-1
Reply-to:      sdpd...@yahoogroups.com

Hi,

A new service starts at the SDPD mailing list, the UPPW :
              Unindexed Powder Pattern of the Week

Every week, a problem to solve will be proposed, you can
send solutions at uppw...@cristal.org (provide the software
name, the cell, the M20 and F20 figures of merit and more if
you wish). These solutions, if any, will be summarized at the
SDPD mailing list the next week, while a new problem will be
offered. Anonymity will be ensured, unless the contrary is
specified.


UPPW-1 :

ICDD 49-2190
C14H9NO4 - 3-Amino-alizarin
ICDD Grant-in-Aid (1997)
"Any unindexed patterns require special justification to be
accepted in the PDF. In particular, strong evidence of phase
purity would be essential"

   d(A)    -   intensity
10.5296  23
7.2005  54
6.8185  25
6.5949 100
6.1710  23
5.7562  41
5.3175  91
5.2432  12
4.9734  13
4.5430   8
4.4644   3
4.4037   6
4.0997  16
4.0572  14
3.9151  31
3.8394  14
3.7307   7
3.6060   5
3.5000   2
3.4147  18
3.3954   5
3.3026   7
3.2783   4
3.2396   1
3.1688   3
3.1500   2
3.1067   6
3.0610  13

If you possess an unindexed powder pattern and wish it to
be proposed as an UPPW, preferably send it to uppw...@cristal.org
either as a list of d(A) (or 2-theta) and I values or as a digitized
pattern. Your problem will be queued ;-).

Best wishes,

Armel




 

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