[phenixbb] high resolution bin statistics

[Sebastiano Pasqualato]

Thanks Pavel,
that sounds more than reasonable!
have a nice day,
ciao
s

On Aug 31, 2009, at 5:55 PM, Pavel Afonine wrote:

> Hi Sebastiano,
>
> the number of bins used is such that each bin has enough amount of
> "free" reflections for meaningful statistics calculation. For example,
> in your case below only 4 bins allow slightly more than 100 "free"
> reflections per bin. Making more bins will further reduce the number  
> of
> "free" reflections per bin making it impossible to compute Rfree in  
> each
> bin.
>
> Pavel.
>
>
> On 8/31/09 3:21 AM, Sebastiano Pasqualato wrote:
>> Hi there,
>> i just wanted to know how is determined the number of bins for which
>> the statistics of refinement are given in the header of the pdb
>> refined with phenix.refine, and if there's a way to have more than  
>> the
>> number of bins that is default output.
>> For example, what if I'd like to have statistics for the 2.6-2.5 bin,
>> here:
>>
>> REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).
>> REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK   
>> RFREE
>> REMARK   3     1 32.4159 -  3.9625    0.99     2545   131  0.1921  
>> 0.2232
>> REMARK   3     2  3.9625 -  3.1460    1.00     2447   116  0.1650  
>> 0.2289
>> REMARK   3     3  3.1460 -  2.7486    1.00     2433   121  0.1917  
>> 0.2682
>> REMARK   3     4  2.7486 -  2.4974    1.00     2405   130  0.2244  
>> 0.2890
>>
>> thanks a lot in advance,
>> ciao
>> s
>>
>>
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-- 
Sebastiano Pasqualato, PhD
IFOM-IEO Campus
Dipartimento di Oncologia Sperimentale
Istituto Europeo di Oncologia
via Adamello, 16
20139 - Milano
Italy

tel +39 02 9437 5094