You don't say how you are doing the transformation?
I would simply input the file to cad
cad hklin1 thisfile.mtz hklout newfile.mtz
labi file 1 allin
end
I think (and hope) that the data and phases will be converted correctly to the CCP4 asymmetric unit.
Eleanor
On 25 Mar 2014, at 09:16, Zbyszek Otwinowski wrote:
> I am reading an external file, which contains phases and ABCDs in the space group P43212. My file has an asymmetric unit with k>= h.
> Since CCP4 uses a different asymmetric unit with h>=k, this requires phase and ABCD coefficients transformation. The transformation seems to be correct for reflections with initial h not equal to zero, but gives wrong result for 0 k l reflections.
>
> Zbyszek Otwinowski
>
>
> Zbyszek Otwinowski
> UT Southwestern Medical Center
> 5323 Harry Hines Blvd., Dallas, TX 75390-8816
> (214) 645 6385 (phone) (214) 645 6353 (fax)
> [log in to unmask]
|