Effect of Different Distribution of Components Concentration on the Accuracy of Quantitative Spectral Analysis
LI Gang1, ZHAO Zhe1, WANG Hui-quan1, LIN Ling1, ZHANG Bao-ju2, WU Xiao-rong2*
1. State Key Laboratory of Precision Measurement Technology and Instruments,Tianjin University, Tianjin 300072, China 2. College of Physics & Electronic Information, Tianjin Normal University, Tianjin 300387, China
Abstract:In order to discuss the effect of different distribution of components concentration on the accuracy of quantitative spectral analysis, according to the Lambert-Beer law, ideal absorption spectra of samples with three components were established. Gaussian noise was added to the spectra. Correction and prediction models were built by partial least squares regression to reflect the unequal modeling and prediction results between different distributions of components. Results show that, in the case of pure linear absorption, the accuracy of model is related to the distribution of components concentration. Not only to the component we focus on, but also to the non-tested components, the larger covered and more uniform distribution is a significant point of calibration set samples to establish a universal model and provide a satisfactory accuracy. This research supplies a theoretic guidance for reasonable choice of samples with suitable concentration distribution, which enhances the quality of model and reduces the prediction error of the predict set.
Key words:Concentration distribution;Spectral analysis;Pure absorption;Partial least squares
李 刚1,赵 喆1,王慧泉1,林 凌1,张宝菊2,吴晓荣2* . 浓度分布对光谱法检测成分含量精度的影响 [J]. 光谱学与光谱分析, 2012, 32(07): 1905-1908.
LI Gang1, ZHAO Zhe1, WANG Hui-quan1, LIN Ling1, ZHANG Bao-ju2, WU Xiao-rong2* . Effect of Different Distribution of Components Concentration on the Accuracy of Quantitative Spectral Analysis. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2012, 32(07): 1905-1908.
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