[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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