calcfourier


Calculates Fourier map for current model.

{-calc,- diff, -obs, -tomc} [-r=0.25 Å] [-i] [-scale=simple] [-fcf]

Calculates Fourier map for current model.

A residual density map
A residual density map

  • -r: the resulting map resolution in Å
  • -i: integrates the calculated map
  • -scale: when Olex2 calculates structure factors, it uses the linear scale as a $sum(F_o^2)/sum(F_c^2)$ by default, however a linear regression scale can be also used (use -scale=regression)
  • -fcf: Olex2 will use an FCF with LIST 3 structure factors as a source of the structure factors. If this option is not specified, Olex2 will calculate the structure factors using the the reflection used in the refinement (use the >>hklstat command to see more information on reflections).