Thank you for your message. You can find the number for the ESD based
on the Luzzati Plot in the REMARK3 section of the header. Several other
coordinate ESD values are listed as well, based on the DPI definitions of
Cruickshank and of Blow. There is a line for the Estimated error of bin free
R value in that same section, but we currently print a value of NULL because
we don't really believe that this can be calculated in a very meaningful way
by any method we are aware of. Perhaps this can be provided at a later
Good luck with your deposition!
On Tue, Mar 02, 2010 at 03:09:47PM +0000, Melanie Vollmar wrote:
> Hi all
> I did my first deposition of a BUSTER refined structure and I was very
surprised when I was asked for an "estimated error of free R value" and
"estimated error of bin free R value" as well an "ESD based on Luzzati Plot"
during the deposition process.
> I had a detailed look into the refinement log file and I tried the Buster
documentation but I have absolutely no clue where I can find these values.
> Can someone give me a hint where I can find some information about this or
where the values are in the log file? If they are not listed anywhere, in
which way do they have to be estimated? And what is a Luzzati Plot? I have
never heard of such a plot before...
> Thank you very much.
* Gerard Bricogne [log in to unmask] *
* Global Phasing Ltd. *
* Sheraton House, Castle Park Tel: +44-(0)1223-353033 *
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