you need to select the Free R in the highest possible Laue group , then
use cad to extend this to all reflections in the chosen point group.
This is best done immediately post-truncate..
eg if you twinning operator is k,h,-l, then if
1,2, 3 is assigned to the free set so should 2, 1, -3 be.
PHENIX.xtriage does it properly
REFMAC does not use it properly I dont think, but maybe that has been
fixed..
Eleanor
Serge Cohen wrote:
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I guess the independence is mostly depending on how you select the
reflection that lie in the free-set.
If (from the beginning) you select reflections that are related by the
twin operator to be both in the free-set you keep the "independence"
of the free-set.
Serge.
Le 5 déc. 08 à 13:50, Agnieszka Kiliszek a écrit :
Hi,
What is the meaning of R free of perfect twin? Shelxl counts it but it
seems that the R f is no longer independent.
Aga
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