• Thomas White's avatar
    compare_hkl: Use separate denominators when calculating R-factors in shells · 6734aced
    Thomas White authored
    If there are large changes in intensity between shells, the R-factor should reflect it.
    The old formulation did not have that property.  Weak resolution shells would show up
    with low R-factors because they contributed very little to the overall R-factor, but
    the actual correspondence between intensities could still be very poor.