Likelihood-based modification of experimental crystal...

Data processing: measuring – calibrating – or testing – Measurement system in a specific environment – Chemical analysis

Reexamination Certificate

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C702S019000

Reexamination Certificate

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06931329

ABSTRACT:
A maximum-likelihood method for improves an electron density map of an experimental crystal structure. A likelihood of a set of structure factors {Fh} is formed for the experimental crystal structure as (1) the likelihood of having obtained an observed set of structure factors {FhOBS} if structure factor set {Fh} was correct, and (2) the likelihood that an electron density map resulting from {Fh} is consistent with selected prior knowledge about the experimental crystal structure. The set of structure factors {Fh} is then adjusted to maximize the likelihood of {Fh} for the experimental crystal structure. An improved electron density map is constructed with the maximized structure factors.

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