On the Equivalence Between a Commonly Used Correlation Coefficient and a Least Squares Function

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dc.contributor.authorJamrog, Diane C.en_US
dc.contributor.authorPhilips, George N. Jr.en_US
dc.contributor.authorZhang, Yinen_US
dc.date.accessioned2018-06-18T17:51:06Zen_US
dc.date.available2018-06-18T17:51:06Zen_US
dc.date.issued2003-01en_US
dc.date.noteJanuary 2003 (Revised October 2003)en_US
dc.description.abstractMany objective functions have been proposed in X-ray crystallography to solve the molecular replacement (MR) problem and other optimization problems. In this paper, we establish the equivalence between optimizing two target functions: a commonly used correlation coefficient and a least squares function. This equivalence may be in neighborhoods about the global optima or the entire MR variable space depending on whether the average values of the observed and calculated data are subtracted from observed and calculated data. In addition, we also present an argument that the correlation coefficient between structure factor magnitudes is likely to perform better than the correlation coefficient between intensities. This was confirmed by the MR program SOMoRe, especially when low-resolution data were used.en_US
dc.format.extent13 ppen_US
dc.identifier.citationJamrog, Diane C., Philips, George N. Jr. and Zhang, Yin. "On the Equivalence Between a Commonly Used Correlation Coefficient and a Least Squares Function." (2003) <a href="https://hdl.handle.net/1911/101999">https://hdl.handle.net/1911/101999</a>.en_US
dc.identifier.digitalTR03-02en_US
dc.identifier.urihttps://hdl.handle.net/1911/101999en_US
dc.language.isoengen_US
dc.titleOn the Equivalence Between a Commonly Used Correlation Coefficient and a Least Squares Functionen_US
dc.typeTechnical reporten_US
dc.type.dcmiTexten_US
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