The R-factor value compares overall agreement between the amplitudes
of two sets of structure factors as follows:
R= sigma || Fobs | - | Fcalc || / sigma | Fobs |
For each reflection the magnitude of the computed difference between
the observed structure-factor amplitude from the native data
set |Fobs| and the calculated amplitude from the model in its current
trial location |Fcalc| is summed for all reflections and divided by
the sum of the observed structure factors.