BEST SOLUTION CALCULATION METHOD, DOMINANT SOLUTION CALCULATION METHOD, AND PROGRAM OF CALCULATION PARAMETER IN POWDER DIFFRACTION PATTERN

摘要

To provide a method capable of accurately calculating a calculation parameter on the basis of an observation diffraction pattern of a powder sample.SOLUTION: A best solution calculation method of a calculation parameter in an observation diffraction pattern used for crystal structure analysis of a powder sample is provided. The best solution calculation method includes: a third convergent value calculation process 600 of calculating each of at least three convergent values; a third best solution determination process 700 of calculating adaptations using respective peak position shift parameters of at least three calculated convergent values, and determining whether the solution is a true solution; and a first global solution calculation process 800 of calculating a global solution as the true solution using the respective obtained adaptations.SELECTED DRAWING: Figure 1