光谱重叠峰的曲线拟合解析策略与实现

Strategy and implementation of resolve overlapping spectra based on curve fitting

针对光谱分析中的重叠峰问题,提出了一种基于曲线拟合的光谱重叠峰解析算法,讨论了曲线拟合的参数调整和表达非唯一性等问题,提出了最小峰-峰间距(MRI)、可分离最小峰-峰间距(MSI)和拟合误差曲线的三个特征区间等概念;在峰位的确定中,引入由宽逐严的排除策略。含噪模拟光谱重叠峰解析结果表明,所提出的算法是有效的。

Aming at the overlapping peaks in spectrum analysis, a novel method of curve fitting based on Gaussian function is presented to resolve the overlapping peaks. The theory of curve fitting is introduced firstly, and then an algorithm is proposed based on both the minimum separable peak-peak interval and the curve-fitting error. In the peak positioning, a gradually strict strategy is introduced to exclude the fake peaks. The resolution of several kinds of overlapping peaks with computer-simulated noise has been performed and discussed in details. The calculated results indicate that the peak positions can be extracted effectively, even in the case of serious overlapped, and clearly show the effectiveness of the proposed method.