Program as well as the associated estimation method, the substance structure based optimization method of multiple parameters by the hybrid GA, data analysis method by pattern matching, the radiation diffraction data, various devices and recording media

摘要

Genetic algorithm in (GA), hybrid GA for performing a local optimization operation only to individuals only a small number of relatively low fitness in the generation of many widely distributed core of the present invention is a (HGA). And from exhibits very strong regional searching ability in multi-dimensional parameter space strong multimodal, in accordance with the present invention, the HGA is efficient structural parameters many even from slight information contained in the X-ray diffraction ring I can be determined well. As a result, it becomes possible to determine the complex structure material from a powder sample without a single crystal, the development of new materials is accelerated in many fields such as materials and pharmaceuticals.