Residual factor R(I) for reflections that satisfy the
resolution limits established by _refine.ls_d_res_high and
_refine.ls_d_res_low and the observation limit established by
_reflns.observed_criterion, calculated on the estimated
reflection intensities.
This is most often calculated in Rietveld refinements against
powder data, where it is referred to as RB or RBragg.
sum|Iobs - Icalc|
R(I) = ---------------------
sum|Iobs|
Iobs = the net observed intensities
Icalc = the net calculated intensities
sum is taken over the specified reflections