Figure 1
Phase refinement by [delta]P recycling. (Top) Initial (or updated) phase estimates are used to compute [delta]P; (middle) [delta]P values are compared with [Delta] = 2.5[sigma]P to impose positivity, thus leading to the constrained [delta]P,[Delta]; (bottom) new structure-factor estimates are obtained by Fourier transforming [delta]P,[Delta]. CC measures the correlation between observed and new amplitudes. Refinement continues until convergence is reached. This algorithm is also valid for [delta]M, the principal difference being substitution of E2 - <E2> by E - <E>.  [article HTML]

© International Union of Crystallography 2012