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Non-approximate Voigt line profile fitting method for absorption spectrum spectroscopy

机译:吸收光谱的非近似Voigt线轮廓拟合方法

摘要

The present invention provides a Voigt line shape fitting method, including step 1: Calculate a Gauss line shape function and a Lorentz line shape function, and calculate a Voigt line shape function. Step 2: For determined line shape parameters to be fitted, calculate partial derivatives of the Voigt line shape function with respect to the parameters, convert a partial derivative of the Voigt line shape function with respect to a parameter into a partial derivative of the Gauss line shape function or the Lorentz line shape function with respect to the parameter. Step 3: Substitute the Voigt line shape function and the partial derivative of the Voigt line shape function with respect to the parameter to be fitted, into a least squares algorithm step, perform least squares fitting calculation, and determine whether to terminate the least squares fitting calculation or return to step 1 to perform next iterative calculation.
机译:本发明提供了一种Voigt线形拟合方法,包括步骤1:计算高斯线形函数和Lorentz线形函数,并计算Voigt线形函数。步骤2:对于确定的要拟合的线形参数,计算Voigt线形函数相对于参数的偏导数,将Voigt线形函数相对于参数的偏导数转换为Gauss线的偏导数参数的形状函数或洛伦兹线形函数。步骤3:相对于要拟合的参数,将Voigt线形函数和Voigt线形函数的偏导数代入最小二乘算法步骤,执行最小二乘拟合计算,并确定是否终止最小二乘拟合计算或返回到步骤1以执行下一个迭代计算。

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