THE PROBLEM OF MULTIPLE SOLUTION IN THE COMPUTATIONAL RESOLUTION METHOD FOR X-RAY DIFFRACTION PEAKS
X-射线衍射计算分峰的多解问题

The X-ray diffraction profiles of two polyphenylene sulfide samples with different crystallinity were analized by the computational resolution method of overlapping peaks (CROP). It was found that within the fitting error which was usually regarded as a reasonable value, multiple solutions may be obtained. The occurrence of the multiple solution is associated with the structure characteristics of the material studied, such as the crystallite size and the relative position of diffraction peaks of different crystal planes,and the physical and mathematical treatment inthe CROP process.