Figure 3
Graph of the relative error (Rright) between the correct structure factor (Fright) and the structure factor obtained from scaling and merging the first N images from all 100 simulated crystals (Fsim). Also shown are Rwork and Rfree from refinement to convergence of the correct starting model against Fsim from N-image data. Despite perfect isomorphism, fewer images resulted in better agreement. The y axis also represents the maximum peak height found in the phased anomalous difference Fourier (dashed line). Phases were obtained by removing all Se atoms before refining to convergence against Fsim. The phasing signal is maximized at N = 3. |