Metrics for comparison of crystallographic maps [electronic resource].
- Washington, D.C. : United States. Dept. of Energy, 2014. and Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy
- Physical Description:
- pages 2,593-2,606 : digital, PDF file
- Additional Creators:
- Lawrence Berkeley National Laboratory, United States. Department of Energy, and United States. Department of Energy. Office of Scientific and Technical Information
- Restrictions on Access:
- Free-to-read Unrestricted online access
- Numerical comparison of crystallographic contour maps is used extensively in structure solution and model refinement, analysis and validation. However, traditional metrics such as the map correlation coefficient (map CC, real-space CC or RSCC) sometimes contradict the results of visual assessment of the corresponding maps. This article explains such apparent contradictions and suggests new metrics and tools to compare crystallographic contour maps. The key to the new methods is rank scaling of the Fourier syntheses. The new metrics are complementary to the usual map CC and can be more helpful in map comparison, in particular when only some of their aspects, such as regions of high density, are of interest.
- Published through SciTech Connect., 10/01/2014., ": S1399004714016289", Acta Crystallographica. Section D: Biological Crystallography (Online) 70 10 ISSN 1399-0047; ABCRE6 AM, and Urzhumtsev, Alexandre; Afonine, Pavel; Lunin, Vladimir; Terwilliger, Thomas; Adams, Paul.
- Funding Information:
- AC02-05CH11231 and AC52-06NA25396
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