[cctbxbb] correlation function for cctbx.miller.array

Pavel Afonine pafonine at lbl.gov
Tue Oct 22 10:25:07 PDT 2013


Hi Gabor,

I coded "map_correlation" method in 
cctbx_project/cctbx/miller/__init__.py based on (if I recall it correctly):

Acta Cryst. (1993). D49, 530-533
Mean phase error and the map-correlation coefficient
Lunin and Woolfson

I'm not aware of functionality you described...

I guess you can create a clone of "map_correlation" with modifications 
you want, and add a corresponding method with some (long) 
self-explicable name and a regression test along with it.

Pavel


On 10/22/13 10:01 AM, Gabor Bunkoczi wrote:
> Hi,
>
> I need to calculate the correlation function between two maps, both of
> them are stored as miller.array objects. There is a map_correlation
> method, which does something similar to what I want, but this calculates
> the total correlation coefficient, while what I need is another
> miller.array with amplitudes = f1*f2 and phases = p2-p1 (where f1, f2
> are amplitudes and p1, p2 are phases of map1 and map2, respectively),
> i.e. not just the sum of these. Is this available somewhere?
>
> There is the additional complication that the hkl-list for map1 and map2
> may not be fully identical, but the intersect of the two maps could be
> taken.
>
> Thanks, Gabor
>
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