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. 2013 Nov 20;139(19):194109. doi: 10.1063/1.4830404

Figure 10.

Figure 10

Comparison of correlation coefficients calculated using optimal parameters and parameter free versions of the FRI. The optimized correlation coefficients are the highest scoring from a parameter search. For the Lorentz kernel optimal parameter search, υ values range from 0.5 to 10.0 at an interval of 0.5 and η values range from 1.0 Å to 40.0 Å at an interval of 1.0 Å. For the exponential kernel parameter search, κ values range from 0.5 to 10.0 at an interval of 0.5 and η values range from 0.5 Å to 20.0 Å at an interval of 0.5 Å. The parameter free Lorentz kernel uses υ = 2.5 and η = 1.0 Å and the parameter free exponential kernel uses κ = 1.5 and η = 5.0 Å. The line y = x is shown for reference. Points on the line indicate little or no difference between optimized parameters and the parameter free results. Average deviations are 0.0410, 0.0549, 0.0463, and 0.0540 (from left to right and from top to bottom).