[phenixbb] Why the correlation coefficient of the electron density with the model is never 1?
pafonine at lbl.gov
Fri Jun 14 12:50:24 PDT 2019
reasons are similar to why crystallographic R factor never goes to zero.
Model-map CC is calculated between the map (the data, in case of cryo
EM, or sort of data in case of Crystallography) and a model. As you know
data always has errors and model is just an approximation to reality. So
you have no chance to match them perfectly, unless overfit. Something
along these lines..
On 6/14/19 12:42, Murpholino Peligro wrote:
> The links below show a plot of the results of
> phenix.real_space_correlation* for a nice lisozyme crystal and also
> the coot view.
> As you can see the electron density fits very well the model.
> Why not a single residue gets a perfect correlation coefficient? (i.e. 1)
> Just curious.
> * phenix.real_space_correlation pdbfile mtzfile --detail="residue" > outpu
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