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
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,
Centrosymmetric reflections typically have C=0 and D=0, although non-zero values
should not matter, as they do not modify phase probabilities for centrosymmetric
reflections.
Somehow, entering non-zero values for C and D for centrosymmetric reflection
creates strange results during
