期刊
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
卷 70, 期 -, 页码 2593-2606出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S1399004714016289
关键词
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资金
- NIH [GM063210]
- PHENIX Industrial Consortium
- US Department of Energy [DE-AC02-05CH11231]
- Russian Foundation for Basic Research [13-04-00118-a]
- French Infrastructure for Integrated Structural Biology (FRISBI) [ANR-10-INSB-05-01]
- Instruct as part of the European Strategy Forum on Research Infrastructures (ESFRI)
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.
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