ANALYZING METHOD FOR X-RAY POWDER DIFFRACTED IMAGE

摘要

PURPOSE:To shorten a calculating time and to obtain a precise solution, by using a prescribed evaluation value and an evaluation function for errors between measured values for the spacing of lattice planes and the spacing of lattice planes calculated from lattice parameters and surface indices. CONSTITUTION:The observed spacing of lattice planes for a crystal lattice, plane indices (integers), the spacing of lattice planes calculated from the plane indices and the lattice parameters, and an average spacing of adjacent Q cal near Qi are respectively made to be di, hi, ki li, dical and int(Qi). Although the problem is to determine the surface indices making DELTAical minimum, an evaluation value Pi and an evaluation function PM(N, Po) are used for an evaluation of the result. Here, N is the total number of observed diffracted rays and Po is a proper setting value. Although Pi takes generally values smaller than i, if Pi is large, using PM(N, Po), it is estimated whether the solution obtained is correct or not. Thereby, calculating time is shortened and a right solution is obtained.