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Bias reduction in phase refinement by modified interference functions: Introducing the gamma correction
JournalArticle (Originalarbeit in einer wissenschaftlichen Zeitschrift)
 
ID 4530731
Author(s) Abrahams, J. P.
Author(s) at UniBasel Abrahams, Jan Pieter
Year 1997
Title Bias reduction in phase refinement by modified interference functions: Introducing the gamma correction
Journal Acta Crystallographica. Section D, Biological Crystallography
Volume 53
Number Pt 4
Pages / Article-Number 371-6
Mesh terms Science & TechnologyLife Sciences & BiomedicinePhysical SciencesBiochemical Research MethodsBiochemistry & Molecular BiologyBiophysicsCrystallographyBiochemistry & Molecular BiologyBiophysicsCrystallography
Abstract The chemical, physical and symmetry constraints of an electron-density map impose relationships between structure factors, and these relationships are exploited during refinement. However, constraints often allow an artificially high correlation between the model and the original structure factors, a flaw known as model or refinement bias. Elimination of the bias component of a constrained model, the component insensitive to constraints, enhances the power of phase-refinement techniques. The scale of the bias component, here denoted as gamma, is shown to be equal in magnitude to the origin vector of the interference function G that defines the relationships between the structure factors. The gamma correction leads to solvent flipping in the case of phase improvement by solvent flattening, and other types of constraint allow a similar treatment.
Publisher Munksgaard
ISSN/ISBN 0907-4449
edoc-URL https://edoc.unibas.ch/75849/
Full Text on edoc No
Digital Object Identifier DOI 10.1107/S0907444996015272
PubMed ID http://www.ncbi.nlm.nih.gov/pubmed/15299902
ISI-Number 1997XL06900003
Document type (ISI) Journal Article
 
   

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