Maximum-likelihood density modification.

ABSTRACT: A likelihood-based approach to density modification is developed that can be applied to a wide variety of cases where some information about the electron density at various points in the unit cell is available. The key to the approach consists of developing likelihood functions that represent the probability that a particular value of electron density is consistent with prior expectations for the electron density at that point in the unit cell. These likelihood functions are then combined with likelihood functions based on experimental observations and with others containing any prior knowledge about structure factors to form a combined likelihood function for each structure factor. A simple and general approach to maximizing the combined likelihood function is developed. It is found that

SUBMITTER: Terwilliger TC 

PROVIDER: S-EPMC2792768 | biostudies-literature | 2000 Aug

REPOSITORIES: biostudies-literature