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) > zbys...@work.swmed.edu
