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:
-
- Los Alamos National Laboratory
- LBNL
- 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}
}
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