<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 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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<br></blockquote></div><br></div>