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Re: [sdpd] Re: DDM program update 1.92
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<p><br>
> >3- what if the data/parameter ratio is so small that none of the<br>
> >interatomic distances appear to be reasonable (well, I am dead...) ?<br>
><br>
>Want me to teach YOU how to increase the data/parameter and <br>
>signal/noise ratio??????<br>
<br>
My GPS knows the ESRF location and a few trivial tricks have not escaped to my<br>
attention. But have you any protein or really complex compounds in <br>
your DDM examples<br>
or do you select only especially well working school cases ?<br>
<br>
Take one protein powder pattern, remove the restraints, and come back <br>
with the atomic<br>
coordinates. Hope there is no limit in the number of refined <br>
parameters in DDM ? Or try<br>
GSAS.<br>
<br>
Some much more simple crystal structures of the SDPD Round Robin 2 <br>
samples remain<br>
unsolved. I would really like to see H atoms from DDM for sample 7 <br>
with probable formula<br>
C7H5BiO4 which refuses to crystallize correctly, or sample 6 with <br>
probable formula<br>
C21H15Bi2O9 (both synchrotron data).<br>
<a href="http://www.cristal.org/sdpdrr2/index.html";>http://www.cristal.org/sdpdrr2/index.html</a><br>
sample 7 pattern : <a href="http://www.cristal.org/sdpdrr2/sample7.gif";>http://www.cristal.org/sdpdrr2/sample7.gif</a><br>
sample 6 pattern : <a href="http://www.cristal.org/sdpdrr2/sample6.gif";>http://www.cristal.org/sdpdrr2/sample6.gif</a><br>
details for the sample 7 challenge :<br>
<a href="http://www.cristal.org/sdpdrr2/results/index.html";>http://www.cristal.org/sdpdrr2/results/index.html</a><br>
<br>
Gods are supposed to make miracles... We are still waiting for at <br>
least one which<br>
would help us to believe.<br>
<br>
>For susceptive adepts, a bit smoother variant of my message:<br>
>Don't restrain without dire need, strive to be free!<br>
><br>
>P.S. but always be prepared to burn in hell<br>
<br>
See you there later; no hurry.<br>
<br>
Armel<br>
<br>
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