[phenixbb] Reducing R/R-free

Tim Gruene tg at shelx.uni-ac.gwdg.de
Mon Jan 12 23:31:01 PST 2015


Hi Pavel,

I was puzzled and misled by the choice of terms and implied an intent
that apparently wasn't there.

Best,
Tim

On 01/12/2015 10:01 PM, Pavel Afonine wrote:
> Hi Tim,
> 
> it is a shame that I can't remember that particular paper where I think
> Randy Read or Axel Brunger have demonstrated that phase error and Rfree
> are well correlated. So if you get best Rwork and Rfree chances are you
> also get best map too.
> 
> All the best,
> Pavel
> 
> On 1/12/15 3:54 AM, Tim Gruene wrote:
>> Dear George,
>>
>> what are the reasons why are you trying to reduce the R/Rfree instead of
>> producing the best possible map?
>>
>> Best,
>> Tim
>>
>> On 01/11/2015 11:24 PM, George D wrote:
>>> Hi Phenix users,
>>>
>>> I was looking at the phenix-refine manual and it mentions running
>>>
>>> optimize_mask=true
>>>
>>> optimize_xyz_weight=true
>>>
>>> optimize_adp_weight=true
>>>
>>>
>>> I was wondering what else I could try to bring the Rw/Rf down by 1-2%
>>> if possible, just wondering if there are any other strategies I could
>>> try.
>>>
>>>
>>> Thank you,
>>>
>>> George
>>>
>>>
>>>
>>> _______________________________________________
>>> phenixbb mailing list
>>> phenixbb at phenix-online.org
>>> http://phenix-online.org/mailman/listinfo/phenixbb
>>>
>>
>>
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> 
> 

-- 
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

GPG Key ID = A46BEE1A

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