Profile Fitting for Quantitative Analysis in X-Ray Powder Diffraction

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Abstract
Quantitative phase analysis by powder diffractometry requires accurate measurement of the integrated intensities of the diffracted, lines. When lines are isolated and on simple backgrounds, count integration techniques work very well. However, when one or more lines overlap the line of interest, or a complex background is present, profile fitting techniques are required in order to eliminate interferences.Profile fitting involves choosing a mathematical model to represent the expected profile shapes. Experience has shown that the profile shapes obtained with a parafocusing powder diffractometer are not easily described and many models have been tried with varying degrees of success. Generally the more free parameters allowed In the model the ‘setter the fits, although, aesthetically one would like to keep the number of free parameters to a minimum.

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