Figure 8
(a) Anomalous signal estimated after measurement of X-ray data. The anomalous signal for each SAD data set was estimated as described in the text using the values of useful anomalous correlation in Fig. 5(d) and (1). (b) Fraction of the substructure correctly determined by likelihood-based substructure search as a function of the estimated probability of structure solution, as in Fig. 6(b), except that the predictions are made after obtaining the X-ray data. (c) Estimation of the experimental map quality obtainable once the substructure has been determined based on estimates of useful anomalous correlation. Map quality is defined here as the correlation of values at grid points in the experimental map with the corresponding values in a 2mFo − DFc σA-weighted map (Read, 1986) based on a final refined model. |