[phenixbb] poor phasing
Peter Zwart
phzwart at gmail.com
Mon Apr 27 08:20:41 PDT 2009
> 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.
Correct.
> 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.
when data is scaled in P 41 21 2 and you still get twin laws, it means
your cell still has higher symmetry.
what are your unit cell parameters?
P
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