摘要
开发了一个Ｘ 射线和中子粉末衍射峰形拟合程序包ＣＰＯＷＤＥＲ， 它是由多个最小二乘峰形拟合程序与蒙特卡罗分峰程序组成的。最小二乘峰形拟合程序可用于约束条件下的峰形拟合分析， 蒙特卡罗分峰程序可用于寻找全局最优解， 为最小二乘拟合程序提供优质的峰形参数初始值， 两者结合使用特别适合于多个严重重叠峰的分离。
A profile fitting software package CPOWDER for powder diffraction pattern, consisting of several least _ squares profile fitting programs and a Monte Carlo peak separation program, is developed. They can be respectively used for the profile fitting analysis with restraints, and for the search of global optimal solutions to provide fine starting peak parameters needed by least _ squares profile fitting programs. Combination of the programs is especially suitable for separation of a few of severely overlapped peaks.
出处
《分析测试学报》
CAS
CSCD
2000年第1期5-8,共4页
Journal of Instrumental Analysis
基金
核工业科学基金!资助项目(H7196B0112)
