To use phenix.multi_crystal_average you need one more step: take the model from your SeMet dataset and do MR on it in the native cell with native F. Now you have the correspondence between the two cells, and you can plug the 2 models and the one phase set and the native F's straight into phenix.multi_crystal_average to transfer the phase information to the native (and cross-crystal average).

On Jun 23, 2009, at 1:44 AM, Frank von Delft wrote:

Hi, I'm trying to to figure out how to transfer phases from a twinned
SeMet dataset to the native one for refinement.

1) SeMet dataset (2.9A) is solved (despite twinning), structure built,
refines 29/35 (ish)

2) SeMet crystals are hemihedrally twinned (confirmed by refining with
twin law), native probably too.

3) Native dataset (2.7A) has 5A difference in the long cell edge (478 vs
483A).

So I could (and will try to) simply copy the SeMet phases into the
native dataset, even though CC Fnat and Fsme is rather low (80-20%).
But would phenix.multi_crystal_average know what to do with this? It
has no explicit options, so I expected not.

Or how *would* one approach this?

Cheers
Frank

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