Rapid Procedure for Rigorous Analysis of Electron Diffraction Data

摘要

A refined procedure for the analysis of electron diffraction patterns of gas molecules has been developed and programed for rapid computation by the IBM 650 digital computer. In addition to increasing greatly the speed and accuracy of data processing, it reduces to routine practicability the most rigorous methods of structural analysis presently available. Improved methods for handling standard electron diffraction computations and several new schemes facilitating molecular structure determinations are given including an objective determination of parameters by the method of steepest ascents. A simplified means of estimating standard errors is developed.