Real-space correlation coefficient - Revision history

BrianMcMahon at 17:29, 10 March 2020

2020-03-10T17:29:49Z

BrianMcMahon: Style edits to align with printed edition

2017-05-16T14:57:04Z

Style edits to align with printed edition

BrianMcMahon at 13:34, 7 April 2008

2008-04-07T13:34:44Z

New page

The real-space correlation coefficient, RSCC, is a measure of the similarity between an electron-density map calculated directly from a structural model and one calculated from experimental data. An advantage of techniques for evaluating goodness of fit in real space is that they can be performed for arbitrary sets of atoms. They are therefore used most often in the refinement of biological macromolecular structures to improve the model fit on a per-residue basis.

<math>\textrm{RSCC} = {{\sum | \rho_{obs} -\langle \rho_{obs} \rangle | \sum | \rho_{calc} - \langle \rho_{calc} \rangle |} \over {(\sum | \rho_{obs} -\langle \rho_{obs} \rangle |^2 \sum | \rho_{calc} - \langle \rho_{calc} \rangle|^2)^{1/2}}}</math>

(<math>\rho</math>'s are electron density values at grid points that cover the residue in question, obs and calc refer to experimental and model electron density, respectively.)

This metric is similar to the [[real-space residual]] RSR, but does not require that the two densities be scaled against each other.

== Related articles ==

[[real-space residual]]

[[Category:Structure determination]]
[[Category:Biological crystallography]]

@@ Line 1: / Line 1: @@
 The real-space correlation coefficient, RSCC, is a measure of the similarity between an electron-density map calculated directly from a structural model and one calculated from experimental data. An advantage of techniques for evaluating goodness of fit in real space is that they can be performed for arbitrary sets of atoms. They are therefore used most often in the refinement of biological macromolecular structures to improve the model fit on a per-residue basis.
-<math>\textrm{RSCC} = {{\sum | \rho_{obs} -\langle \rho_{obs} \rangle | \sum | \rho_{calc} - \langle \rho_{calc} \rangle |} \over {(\sum | \rho_{obs} -\langle \rho_{obs} \rangle |^2 \sum | \rho_{calc} - \langle \rho_{calc} \rangle|^2)^{1/2}}}</math>
+<math>\textrm{RSCC} = {{\sum ( \rho_{obs} -\langle \rho_{obs}\, \rangle )( \rho_{calc} - \langle \rho_{calc}\, \rangle )} \over {\Big[\sum ( \rho_{obs} -\langle \rho_{obs}\, \rangle )^2 \sum ( \rho_{calc} - \langle \rho_{calc}\, \rangle)^2\Big]^{1/2}}}</math>
 (<math>\rho</math>'s are electron density values at grid points that cover the residue in question, obs and calc refer to experimental and model electron density, respectively.)

@@ Line 7: / Line 7: @@
 This metric is similar to the [[real-space residual]] RSR, but does not require that the two densities be scaled against each other.
-== Related articles ==
+== See also ==
-[[real-space residual]]
+*[[Real-space residual]]
 [[Category:Structure determination]]
 [[Category:Biological crystallography]]