Figure 2
Comparisons of cross-validated estimates of map quality with actual map quality. Measures of map quality as shown in Fig. 1 were used in (7a) and (8a) to estimate overall map quality. The calculations were carried out one data set at a time. For each data set, joint probability distributions of each measure of quality and true quality [e.g. p(skew, r2MODEL)] were calculated excluding data from all solutions for that structure. These cross-validated joint probability distributions were used in (7a) and (8a) to estimate map quality using the measures of quality for each map associated with that data set. In each case, the true map quality (r2MODEL) is plotted as a function of the Bayesian estimates of map quality. (a) Estimates of map quality using the skewness of electron density in (7a). (b) Estimates using the correlation of local r.m.s. density in (7a). (c) Estimates using the skewness and correlation of local r.m.s. density in (8a). |