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Hi George,<br>
<br>
look in phenix.refine log file: it prints statistics in resolution
bins (R-factors, completeness, number of reflections, <F>,
etc); so you can take the number from highest resolution shell. Of
course the definition of "highest resolution shell" is somewhat
arbitrary, and also depends on how you do binning. <br>
<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 1/13/15 6:48 AM, George Devaniranjan
wrote:<br>
</div>
<blockquote
cite="mid:CAFU65PeP63Sxyz-GbBVQvxqHAhxQr3Sd6oR7mWoZGMA=js9XXA@mail.gmail.com"
type="cite">
<div dir="ltr">Hi,
<div><br>
</div>
<div>I am sorry to ask another question, this is related to the
above hence following up on this thread.</div>
<div><br>
</div>
<div>I can calculate R/R-free using the validation tool but how
does one calculate the </div>
<div><br>
</div>
<div>R factors for the highest resolution shell ? </div>
<div><br>
</div>
<div>Thank you,</div>
<div>George</div>
<div><br>
</div>
<div><br>
</div>
</div>
<div class="gmail_extra"><br>
<div class="gmail_quote">On Tue, Jan 13, 2015 at 2:31 AM, Tim
Gruene <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:tg@shelx.uni-ac.gwdg.de" target="_blank">tg@shelx.uni-ac.gwdg.de</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">Hi Pavel,<br>
<br>
I was puzzled and misled by the choice of terms and implied
an intent<br>
that apparently wasn't there.<br>
<br>
Best,<br>
Tim<br>
<div class="HOEnZb">
<div class="h5"><br>
On 01/12/2015 10:01 PM, Pavel Afonine wrote:<br>
> Hi Tim,<br>
><br>
> it is a shame that I can't remember that particular
paper where I think<br>
> Randy Read or Axel Brunger have demonstrated that
phase error and Rfree<br>
> are well correlated. So if you get best Rwork and
Rfree chances are you<br>
> also get best map too.<br>
><br>
> All the best,<br>
> Pavel<br>
><br>
> On 1/12/15 3:54 AM, Tim Gruene wrote:<br>
>> Dear George,<br>
>><br>
>> what are the reasons why are you trying to
reduce the R/Rfree instead of<br>
>> producing the best possible map?<br>
>><br>
>> Best,<br>
>> Tim<br>
>><br>
>> On 01/11/2015 11:24 PM, George D wrote:<br>
>>> Hi Phenix users,<br>
>>><br>
>>> I was looking at the phenix-refine manual
and it mentions running<br>
>>><br>
>>> optimize_mask=true<br>
>>><br>
>>> optimize_xyz_weight=true<br>
>>><br>
>>> optimize_adp_weight=true<br>
>>><br>
>>><br>
>>> I was wondering what else I could try to
bring the Rw/Rf down by 1-2%<br>
>>> if possible, just wondering if there are
any other strategies I could<br>
>>> try.<br>
>>><br>
>>><br>
>>> Thank you,<br>
>>><br>
>>> George<br>
>>><br>
>>><br>
>>><br>
>>>
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>>><br>
>><br>
>><br>
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><br>
><br>
<br>
</div>
</div>
<div class="HOEnZb">
<div class="h5">--<br>
Dr Tim Gruene<br>
Institut fuer anorganische Chemie<br>
Tammannstr. 4<br>
D-37077 Goettingen<br>
<br>
GPG Key ID = A46BEE1A<br>
<br>
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</blockquote>
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