A fully automatic peak-search program for the evaluation of Gauss-shaped diffraction patterns

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Abstract

Diffraction patterns (X-rays or neutrons) often contain regions of overlapping, unresolved peaks. When using energy-dispersive techniques with solid state detectors the degree of overlap is especially high because of the poor resolution of such detectors. Profile analysis then offers the possibility to overcome, or at least reduce this drawback. In this paper a peak-search program is represented for fully automatic separation of the individual peaks. Only the instrumental parameter fwhm (full width at half-maximum) and the recorded spectrum are required as input for the program. Results are given for orthorhombic MnSO4.

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