[phenixbb] A couple of questions regarding twinning

Peter Zwart PHZwart at lbl.gov
Thu Jun 3 07:36:14 PDT 2010


Hi Owen,

R = |Fobs - Wcalc|/Fobs

Wcalc = sqrt( alpha Fcalc1^2  + Fcalc2^2(1-alpha) )


Sorry Pietro, only a single domain is possible at this moment.

Map coefficients are such that effects of twinning are not present




2010/6/3 Owen Pornillos <owen at scripps.edu>:
> On a related note, how is the R factor calculated with twinned structures
> (i.e., how is Fcalc determined for the purposes of R factor calculation)?
> Thanks,
> Owen
>
> On Jun 3, 2010, at 10:27 AM, Nathaniel Echols wrote:
>
> On Thu, Jun 3, 2010 at 6:52 AM, Pietro Roversi
> <pietro.roversi at path.ox.ac.uk> wrote:
>>
>> (see attached file) but only the last one seems to be used.
>> Do I guess correctly that there is only provision for two domains
>> adn therefore the last twinning definition overrides any
>> previously defined one?
>
> Correct.
>
>>
>> If so, is there a way of specifying and using multiple
>> twinning domains/operators?
>
> Currently phenix.refine is limited to a single twin operator.
> -Nat
> <ATT00001..txt>
>
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>



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