
Figure 2
Plots of dataprocessing and refinement statistics against resolution. In (a), (b), (e) and (f), CC_{1/2} is shown as a dashed red line and <<I>/(<I>)> is shown as a pale blue dotted line (righthand axes). (a), (b), (c) and (d) are from example 1, (e) is from example 4 and (f) is from example 5. (a) Dataprocessing statistics and R_{free} for the observed data (black); against simulated data beyond 2.4 Å resolution, expected F (blue); and F from two or three sets of random intensities (green). (b) Similar statistics in cones around the three principal directions of anisotropy d1 (red), d2 (= b*, black) and d3 (blue), omitting the F(random) values. (c) R_{free}(F from I) values for refinement against measured and random simulated intensities. (d) ML scale that indicates the contribution of these reflections to electrondensity calculations. (e) As (a) but for example 4. (f) The same for example 5 