It is essential to change the column names if they already exist in the input MTZ file. This is normally not necessary but you may wish to reduce F2OR to managable values. The default scale is 1.0. The input files are The control data file. The input reflection data file in standard MTZ format.
E is the normalised structure amplitude.
Note than when using F2OR or E2OR to compute an origin-removed Patterson with FFT, the Patterson keyword must not be given, as the coefficients are already in squared form. The library symmetry data file, normally defaulted. For each mean the theoretical value for the acentric, centric and hypercentric distributions is also tabulated. Cumulative distribution of E's for centric and acentric with theoretical values. This table can also be graphed with xloggraph.