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Title: Decision-making in structure solution using Bayesian estimates of map quality: the PHENIX autosol wizard

Abstract

Ten measures of experimental electron-density-map quality are examined and the skewness of electron density is found to be the best indicator of actual map quality. A Bayesian approach to estimating map quality is developed and used in the PHENIX AutoSol wizard to make decisions during automated structure solution.

Authors:
 [1];  [2];  [3];  [3]
  1. Los Alamos National Laboratory
  2. LBNL
  3. UNIV OF CAMBRIDGE
Publication Date:
Research Org.:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
960460
Report Number(s):
LA-UR-08-04869; LA-UR-08-4869
Journal ID: ISSN 0907-4449; TRN: US201006%%1130
DOE Contract Number:  
AC52-06NA25396
Resource Type:
Journal Article
Journal Name:
Acta Crystallographica. Section D: Biological Crystallography
Additional Journal Information:
Journal Volume: 65; Journal Issue: 6; Journal ID: ISSN 0907-4449
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES; COMPUTERIZED SIMULATION; DECISION MAKING; ELECTRON DENSITY; INDICATORS; MOLECULAR STRUCTURE

Citation Formats

Terwilliger, Thomas C, Adams, Paul D, Read, Randy J, and Mccoy, Airlie J. Decision-making in structure solution using Bayesian estimates of map quality: the PHENIX autosol wizard. United States: N. p., 2008. Web. doi:10.1107/S0907444909012098.
Terwilliger, Thomas C, Adams, Paul D, Read, Randy J, & Mccoy, Airlie J. Decision-making in structure solution using Bayesian estimates of map quality: the PHENIX autosol wizard. United States. https://doi.org/10.1107/S0907444909012098
Terwilliger, Thomas C, Adams, Paul D, Read, Randy J, and Mccoy, Airlie J. 2008. "Decision-making in structure solution using Bayesian estimates of map quality: the PHENIX autosol wizard". United States. https://doi.org/10.1107/S0907444909012098. https://www.osti.gov/servlets/purl/960460.
@article{osti_960460,
title = {Decision-making in structure solution using Bayesian estimates of map quality: the PHENIX autosol wizard},
author = {Terwilliger, Thomas C and Adams, Paul D and Read, Randy J and Mccoy, Airlie J},
abstractNote = {Ten measures of experimental electron-density-map quality are examined and the skewness of electron density is found to be the best indicator of actual map quality. A Bayesian approach to estimating map quality is developed and used in the PHENIX AutoSol wizard to make decisions during automated structure solution.},
doi = {10.1107/S0907444909012098},
url = {https://www.osti.gov/biblio/960460}, journal = {Acta Crystallographica. Section D: Biological Crystallography},
issn = {0907-4449},
number = 6,
volume = 65,
place = {United States},
year = {Tue Jan 01 00:00:00 EST 2008},
month = {Tue Jan 01 00:00:00 EST 2008}
}