When in a powder diffraction pattern two or more peaks heavily overlap, the integrated intensities of the overlapping reflections are correlated. This paper describes a method, based on the study of the peak overlap, which estimates the number of statistically independent intensities associated with a powder diagram. Such a number can be useful for forecasting the rate of success of direct-methods procedures for ab initio crystal structure solution and for evaluating a priori the efficiency of least-squares programs devoted to crystal structure refinement.

On the Number of Statically Indipendent Observations in a Powder Diffraction Pattern

BURLA, Maria Cristina;POLIDORI, Giampiero
1995

Abstract

When in a powder diffraction pattern two or more peaks heavily overlap, the integrated intensities of the overlapping reflections are correlated. This paper describes a method, based on the study of the peak overlap, which estimates the number of statistically independent intensities associated with a powder diagram. Such a number can be useful for forecasting the rate of success of direct-methods procedures for ab initio crystal structure solution and for evaluating a priori the efficiency of least-squares programs devoted to crystal structure refinement.
1995
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11391/157996
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