Dataset Information

Metrics for comparison of crystallographic maps.

ABSTRACT: 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.

SUBMITTER: Urzhumtsev A

PROVIDER: S-EPMC4188004 | biostudies-literature | 2014 Oct

REPOSITORIES: biostudies-literature

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Metrics for comparison of crystallographic maps.

Urzhumtsev Alexandre A Afonine Pavel V PV Lunin Vladimir Y VY Terwilliger Thomas C TC Adams Paul D PD

Acta crystallographica. Section D, Biological crystallography 20140927 Pt 10

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 t ...[more]

PMID: 25286844

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Dataset Information

Metrics for comparison of crystallographic maps.

Publications

Metrics for comparison of crystallographic maps.

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