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Maximum-likelihood density modification

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Terwilliger, Thomas C.·2000·Acta Crystallographica Section D Biological Crystallography

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 this likelihood-based approach yields greater phase improvement in model and real test cases than either conventional solvent flattening and histogram matching or a recent reciprocal-space solvent-flattening procedure [Terwilliger (1999), Acta Cryst. D55, 1863-1871].

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Metadata

Authors
Terwilliger, T. C.
Venue
Acta Crystallographica Section D Biological Crystallography
Published
2000-08-01
Volume
56
Issue
8
Pages
965-972
ISSN
0907-4449 (ISSN-L)
OpenAlex
W2143694829
Cited by
1,634
References
0
FWCI
45.59
Type
journal article
Language
en
Open access
hybrid

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CoChat. (2026). Citation check: Maximum-likelihood density modification. https://app.cochat.ai/papers/10.1107/s0907444900005072
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Terwilliger, T. C. (2000). Maximum-likelihood density modification. Acta Crystallographica Section D Biological Crystallography. https://doi.org/10.1107/s0907444900005072

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