Chapter 15.2 Model phases: probabilities, bias and maps

The optimal use of model phase information requires an estimate of its reliability, specifically the probability that various values of the phase angle are true. This chapter covers the importance of phase in model bias; structure-factor probability relationships; figure-of-merit weighting for model phases; map coefficients to reduce model bias; difference-map coefficients; refinement bias; and maximium-likelihood structure refinement.

Keywords: Parseval’s theorem; Sim distribution; Wilson distribution; coordinate errors; figure-of-merit weighting for model phases; maximum likelihood; model bias; model phases; phase combination; refinement; structure-factor probability distributions