title Generate structure factors from coordinates # Set the mode for structure factor calculation # using input coords and reflection file # (NB. It is not compulsory to have HKLIN) mode sfcalc xyzin hklin # Input labels for native labin FP=FNAT SIGFP=SIGFNAT # Output labels for calculated structure factors labout FC=FC PHIC=PHIC # Use 'noscale' to stop output Fp being scaled to Fc noscale end