XAFS光谱学。I.从吸收光谱中提取精细结构
XAFS spectroscopy. I. Extracting the fine structure from the absorption spectra
摘要：
三个独立的技术被用来从吸收光谱中分离精细结构，其中背景函数由（i）平滑样条近似。本文提出了一种新的确定光滑参数的可靠准则和提高光滑参数稳定性的方法，它是关于：（i）具有变结点的插值样条;（iii）由Baidu光滑得到的直线。该方法考虑了各种先验信息，并包括一个自然的方式来确定XAFS提取的错误。特别注意了XAFS数据中不确定性的估计。实验噪声被证明是基本上小于背景近似的误差，它是后者，确定在随后的拟合结构参数的方差。
英文摘要：
Three independent techniques are used to separate fine structure from the absorption spectra, the background function in which is approximated by (i) smoothing spline. We propose a new reliable criterion for determination of smoothing parameter and the method for raising of stability with respect to k_min variation; (ii) interpolation spline with the varied knots; (iii) the line obtained from bayesian smoothing. This methods considers various prior information and includes a natural way to determine the errors of XAFS extraction. Particular attention has been given to the estimation of uncertainties in XAFS data. Experimental noise is shown to be essentially smaller than the errors of the background approximation, and it is the latter that determines the variances of structural parameters in subsequent fitting.
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