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Title: FEM: Feature-enhanced map

A method is presented that modifies a 2mFobs-DFmodelσA-weighted map such that the resulting map can strengthen a weak signal, if present, and can reduce model bias and noise. The method consists of first randomizing the starting map and filling in missing reflections using multiple methods. This is followed by restricting the map to regions with convincing density and the application of sharpening. The final map is then created by combining a series of histogram-equalized intermediate maps. In the test cases shown, the maps produced in this way are found to have increased interpretability and decreased model bias compared with the starting 2mFobs-DFmodelσA-weighted map.
Authors:
 [1] ;  [1] ;  [2] ;  [1] ;  [3] ;  [4] ;  [5] ;  [6]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  4. Jozef Stefan Inst. (IJS), Ljubljana (Slovenia)
  5. Centre for Integrative Biology, Illkirch (France); Universite de Lorraine, Vandoeuvre les Nancy (France)
  6. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California Berkeley, Berkeley, CA (United States)
Publication Date:
OSTI Identifier:
1213460
Grant/Contract Number:
AC02-05CH11231
Type:
Accepted Manuscript
Journal Name:
Acta Crystallographica. Section D: Biological Crystallography (Online)
Additional Journal Information:
Journal Name: Acta Crystallographica. Section D: Biological Crystallography (Online); Journal Volume: 71; Journal Issue: 3; Journal ID: ISSN 1399-0047
Publisher:
International Union of Crystallography
Research Org:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE Fourier map; map sharpening; map kurtosis; model bias; map improvement; density modification; PHENIX; cctbx; FEM; featureenhanced map; OMIT