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描述了一种基于无约束最优化理论,采用蒙特卡洛方法与非线性最小二乘法相结合的方法,对溶液自由基EPR波谱进行解析的计算机算法.本算法对EPR实验谱进行自动拟合,并给出较精确的解析结果.此程序已在我所最近研制的EPR波谱仪通用PC微机数据系统中使用,获得较满意的效果.
A computer algorithm based on the theory of unconstrained optimization and the combination of Monte Carlo method and nonlinear least square method is introduced to analyze the EPR spectrum of solution. The algorithm of EPR experimental spectrum automatically fit, and gives more accurate analytical results. This program has been used in our recently developed EPR General PC Microcomputer Data System to obtain more satisfactory results.