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Hi John,<br>
<br>
I completely agree with Paul. Just to add that this difference could
also be large if you are refining against neutron data.<br>
<br>
Pavel.<br>
<br>
<br>
On 9/22/2008 9:12 PM, Paul Adams wrote:
<blockquote cite="mid:0158208A-70A4-45DB-B9D1-CA8234F044AC@lbl.gov"
type="cite">
<pre wrap="">Hi John,
my understanding is that SFCHECK does not reproduce the TLS or bulk
solvent scaling. Depending on your structure this can be a huge effect
on the R-factors.
Cheers,
Paul
On Sep 22, 2008, at 8:35 PM, john kryst wrote:
</pre>
<blockquote type="cite">
<pre wrap="">Hi all,
I have a little problem... R and R-free from
phenix.refine are 22.9 and 30.6 respectively.... when i validated
in the rcsb server... sfcheck gave me a R and Rfree of 30.8 and
37.8. I am aware that sfcheck never reproduces the result. but i am
worried that the difference is quite large... indeed i have used TLS
NCS and bulk solvent correction...
Did i do anything wrong... please help me
Thanks for your help
regards
John
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