Protein Data Bank exchange dictionary (pdbx) version 1.0521
_refine.pdbx_pd_Marquardt_correlation_coeff
Name:'_refine.pdbx_pd_Marquardt_correlation_coeff'
Definition:
The correlation coefficient between the observed and calculated structure factors for reflections included in the refinement. This correlation factor is found in the fitting using the Levenberg-Marquardt algorithm to search for the minimum value of chisquare. Almost all computer codes for Rietveld refinement employ the Gauss-Newton algorithm to find parameters which minimize the weighted sum of squares of the residuals. A description of the equations is given on http://www.water.hut.fi/~tkarvone/fr_org_s.htm
Type: float
Mandatory item: no
Category: refine