[phenixbb] poor phasing
Francis E Reyes
Francis.Reyes at Colorado.EDU
Mon Apr 27 08:14:35 PDT 2009
R vs R statistic:
R_abs_twin = <|I1-I2|>/<|I1+I2|>
Lebedev, Vagin, Murshudov. Acta Cryst. (2006). D62, 83-95
R_abs_twin observed data : 0.012
R_abs_twin calculated data : 0.300
Is R_abs_twin the same thing as Robs_twin in Lebedev, Vagin,
Murshudov. Acta Cryst. (2006). D62, 83-95 ?
And I guess I have rotational pseudo symmetry with Rcalctwin < 1/2.
Interestingly when I run xtriage when the data is scaled into P 41 21
2 I get the following stats
R vs R statistic:
R_abs_twin = <|I1-I2|>/<|I1+I2|>
Lebedev, Vagin, Murshudov. Acta Cryst. (2006). D62, 83-95
R_abs_twin observed data : 0.012
R_abs_twin calculated data : 0.521
since r_abs_twin or r_obs_twin ~= 0, that's an indicator for perfect
twinning.
FR
On Apr 27, 2009, at 8:58 AM, Peter Zwart wrote:
> Try supplying a pdb file
>
> phenix.xtriage mydata.sca reference.structure.file=mymodel.pdb
>
> for the RvsR analyses.
>
> P
>
> 2009/4/27 Francis E Reyes <Francis.Reyes at colorado.edu>:
>> Interesting. I checked my data in P4 with xtriage and yet L-test
>> comes
>> at a respectable 0.948. How does one assess pseudo rotational
>> symmetry
>> in the refined structure?
>>
>> Thanks
>>
>> FR
>>
>> On Apr 27, 2009, at 8:48 AM, Peter Zwart wrote:
>>
>>>> I have yet to find a twinning test that can assess perfect
>>>> twinning.
>>>
>>> I think you mean perfect twinning in the presence of pseudo
>>> rotational symmetry.
>>> Without the latter part, The L-test works very well.
>>>
>>> P
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>>
>> ---------------------------------------------
>> Francis Reyes M.Sc.
>> 215 UCB
>> University of Colorado at Boulder
>>
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>>
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>>
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>
>
>
> --
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> P.H. Zwart
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---------------------------------------------
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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