[phenixbb] What does mmtbx.twin_map_utils output?

Francis E Reyes Francis.Reyes at Colorado.EDU
Tue Sep 11 11:59:28 PDT 2007


The model was rebuilt using P422, but I couldn't get the R/Rfree's  
down from the mid 30s, despite the entire model being built.   
Thinking I had a twin problem, I scaled it to C2, the lowest symmetry  
space group the data collection would allow. I was enthused,however,  
that twin_map_utils did show a round of refinement where R/Rfree was  
30/30 at 2.6A, though I/Sig should be > 2 at 2.8 A. I was hopefully  
trying to get a model to refine using the way twin_map_utils did to  
produce the low r/rfree until I hit the phenix.refine twinning bug..

FR


---------------------------------------------
Francis Reyes M.Sc.
215 UCB
University of Colorado at Boulder

gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D

8AE2 F2F4 90F7 9640 28BC  686F 78FD 6669 67BA 8D5D



On Sep 11, 2007, at 12:32 PM, Peter Zwart wrote:

> obs : obs data
> calc: Fatoms+Fbulk
>
> No twinning involved in computation of calc
>
> For some reason, the R value between Fcalc for twin related  
> reflections
> are all about 14%.
> I guess you have pseudo symmetry somehow, but I still would not  
> exclude
> P422 ...
>
>
>
>
>
>
>
> Francis E Reyes wrote:
>> Specifically I'm asking about the obs_and_calc.mtz file it produces.
>>
>> Thanks
>>
>> FR
>>
>> ---------------------------------------------
>> Francis Reyes M.Sc.
>> 215 UCB
>> University of Colorado at Boulder
>>
>> gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D
>>
>> 8AE2 F2F4 90F7 9640 28BC  686F 78FD 6669 67BA 8D5D
>>
>>
>>
>> --------------------------------------------------------------------- 
>> ---
>>
>> _______________________________________________
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>> phenixbb at phenix-online.org
>> http://www.phenix-online.org/mailman/listinfo/phenixbb
>>
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