FEM: Feature-enhanced map

Afonine, Pavel V.; Moriarty, Nigel W.; Mustyakimov, Marat; Sobolev, Oleg V.; Terwilliger, Thomas C.; Turk, Dusan; Urzhumtsev, Alexandre; Adams, Paul D.

doi:10.1107/S1399004714028132

Title: FEM: Feature-enhanced map

Journal Article · Thu Feb 26 00:00:00 EST 2015 · Acta Crystallographica. Section D: Biological Crystallography (Online)

DOI:https://doi.org/10.1107/S1399004714028132· OSTI ID:1213460

Afonine, Pavel V. ^[1]; Moriarty, Nigel W. ^[1]; Mustyakimov, Marat ^[2]; Sobolev, Oleg V. ^[1]; Terwilliger, Thomas C. ^[3]; Turk, Dusan ^[4]; Urzhumtsev, Alexandre ^[5]; Adams, Paul D. ^[6]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Jozef Stefan Inst. (IJS), Ljubljana (Slovenia)
Centre for Integrative Biology, Illkirch (France); Universite de Lorraine, Vandoeuvre les Nancy (France)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California Berkeley, Berkeley, CA (United States)

A method is presented that modifies a 2mF_obs - DF_{model σA}-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 2mF_obs - DF_{model σA-}weighted map.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE; National Institutes of Health (NIH)

Grant/Contract Number:: AC02-05CH11231; AC52-06NA25396

OSTI ID:: 1213460

Alternate ID(s):: OSTI ID: 1321743

Report Number(s):: LA-UR-14-24675; ABCRE6; PII: S1399004714028132

Journal Information:: Acta Crystallographica. Section D: Biological Crystallography (Online), Vol. 71, Issue 3; ISSN 1399-0047

Publisher:: International Union of CrystallographyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 133 works

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36 MATERIALS SCIENCE
Fourier map
map sharpening
map kurtosis
model bias
map improvement
density modification
PHENIX
cctbx
FEM
featureenhanced map
OMIT
59 BASIC BIOLOGICAL SCIENCES
feature-enhanced map

Title: FEM: Feature-enhanced map

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