[phenixbb] mlhl refinement

[Pavel Afonine]

  Hi Florian,

> I would also like to refine f' and f'', as the data are from a 
> selenomethionine derivatized protein. From what I can see the default 
> in Phenix.Autosol seems to be not to keep the F+/- and Dano labels for 
> the output mtz file? So I suppose I do need to provide the initial mtz 
> file or is there a way to change the output options for the 
> coefficients in Phenix Autosol?

all you need to refine f' and f'' is the experimental data Fobs+/Fobs-.
phenix.refine does not use Dano (I don't even know what it is).

Also you need to specify the anomalous scatterers. For details see:
http://phenix-online.org/documentation/refinement.htm#anch22
http://phenix-online.org/documentation/refinement.htm#anch76

Note that you can't use mlhl target to refine f' and f'', so use ml instead.

Pavel.