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用电子计算机分离光谱重叠谱带的基本方法,是用合适的子峰函数,通过最小二乘法或尝试法来逼近实验谱带的重叠峰。由于最小二乘法收敛速度比尝试法快得多,所以它是广为使用的有效方法。但是,目前不管使用哪一种方法,一般都必须预先给出可能的子峰参数,作为初始估计值。这个值估计得好坏,直接关系到运算能否成功。本文报道了对实验得到的重叠谱带,由计算机选出较好的子峰参数,然后再进行最小二乘法运算,从而使整个程序可自动进行。
The basic method for separating spectra from overlapping spectra by computer is to approximate the overlapping peaks of the experimental band by the least-squares method or the try method with the appropriate sub-peak function. Least square method is a widely used and effective method because it converges much faster than the trial method. However, at present no matter which method is used, the possible sub-peak parameters must generally be given in advance as the initial estimation value. This value is estimated good or bad, is directly related to the success of the operation. In this paper, we report the overlapped bands obtained by experiments and choose the better sub-peak parameters by computer, and then carry out the least-squares operation, so that the whole procedure can be carried out automatically.