Changes

The following is symmetric, and suitable for comparing two data sets, or two model amplitudes:

The following is symmetric, and suitable for comparing two data sets, or two model amplitudes:

  <math>

  <math>

  R=\frac{\sum_{hkl}\vert F_{hkl,i}-F_{hkl,j}\vert}{0.5\sum_{hkl} F_{hkl,i}+F_{hkl,j}}

  R_{scale}=\frac{\sum_{hkl}\vert F_{hkl,i}-F_{hkl,j}\vert}{0.5\sum_{hkl} F_{hkl,i}+F_{hkl,j}}

  </math>

  </math>

for amplitudes, and analogously for intensities. This R value is called R_scale, as far as I know.

for amplitudes, and analogously for intensities.

=== Model quality indicators ===

=== Model quality indicators ===