電子計算機による機器分析のデータ処理に関する研究 (第6報)

X線回折データの検索

抄録

A simple computer search system for X-ray diffraction data has been developed using a PDP-8/I small computer. The observed data which are stored in the core memory with on-line or off-line system are referred to the standard diffraction angles and the peak intensities using three parameters which consist of MATCH, LIMIT INTENSITY, and WIDTH. About 6, 000 compounds are selected from the Powder Diffraction File as the standard data and classified into 54 volumes of paper tape according to element. The system shows good performances for complex standard mixtures and actual samples such as engine deposits. Average searching time is about 5 minutes.