Study of Net Analyte Signal with Near-Infrared Spectra for Quantitative Analysis
LIU Rong，Lü Li-na, CHEN Wen-liang, XU Ke-xin*
State Key Laboratory of Precision Measuring Technology and Instruments, College of Precision Instruments and Opto-Electronics Engineering, Tianjin University, Tianjin 300072, China
Abstract：Near-infrared spectroscopy is a rapid, high-efficiency, non-destructive and low-cost analytical technique, which has found widespread use for quantitative and qualitative analysis. Because of the complex nature of NIR spectra, multivariate calibration model plays a key role in the spectroscopic analysis. Further understandings of the model can be helpful for optimizing the model’s performance. This paper introduces a convenient definition of net analyte signal, which is one of the figures of merit charactering multivariate calibration model. The absorbance data of the glucose aqueous solution are used for the calculation of net signal and explanation of the qualitative relationships between net analyte signal of glucose and absorptivity coefficients of other components. Qualitative changes of net signal with the complexity of samples are also given. Finally a simple expression is proposed for estimating the prediction error of concentration, which is instructive for further study of the robustness and accuracy of the multivariate calibration model.
刘 蓉，吕丽娜，陈文亮，徐可欣* . 净信号在近红外光谱分析中的应用研究[J]. 光谱学与光谱分析, 2004, 24(09): 1042-1046.
LIU Rong，Lü Li-na, CHEN Wen-liang, XU Ke-xin* . Study of Net Analyte Signal with Near-Infrared Spectra for Quantitative Analysis . SPECTROSCOPY AND SPECTRAL ANALYSIS, 2004, 24(09): 1042-1046.
