Application Research of Normalization Algorithm Based on EWMA-PCA in Standardization of Water Quality Spectral Data
ZHOU Si-han1,2, HU Xin-yu1,2, TANG Bin1,2,3*, ZHAO Ming-fu1,2, LI Feng-xiao1,2, WANG Ren-jie1,2, XIAO Qi-sen1,2, XIAO Yu1,2
1. Key Laboratory of Modern Optoelectronic Detection Technology and Instrument, Chongqing University of Technology, Chongqing 400054, China
2. Chongqing Key Laboratory of Optical Fiber Sensing and Photoelectric Detection, Chongqing University of Technology, Chongqing 400054, China
3. Key Laboratory of Optoelectronic Technology and Systems of Ministry of Education, Chongqing University, Chongqing 400044, China
Abstract：Model transfer is important for solving the inconsistency of measurement signals due to differences in sample and instrument response functions, and an effective method for solving model transfer is the instrument or data standardization. For the existing spectral standardization methods, there are few applied research on UV-visible absorption spectrum, and the UV-visible spectroscopy water quality multi-parameter detection spectrum detection unit has inconsistent resolution, accuracy, and response range, which is difficult to perform between different instruments. The problem of the comparison of test data and the fitting of multi-parameter data, this paper proposes to use the EWMA-PCA normalization algorithm to achieve the model transfer of UV-visible water quality spectra on different instruments’ (Exponentially Weighted Moving-Average) is an exponentially weighted average moving algorithm for finding phylogenetic trees with a high probability of generating UV-Visible water spectral data and recovering theoretical UV-visible water quality spectral data with maximum probability. The UV-Vis spectral characteristics are not lost or offset, reducing the impact of data processing on the UV-visible water spectral data. In this experiment, different concentrations of potassium hydrogen phthalate solution were used to compare and test the Japanese Hamamatsu C10082CAH spectrometer, the US Ocean Optics Maya2000Pro spectrometer and the Xiamen Optosky ATP2000 spectrometer. In the comparison group 1, the source machine Hamamatsu C10082CAH spectrometer and the target machine ocean Maya2000Pro spectrometer were selected, the comparison group 2 selected the source machine Hamamatsu C10082CAH spectrometer and the target machine Optosky ATP2000 spectrometer, and the comparison group 3 selected the source machine marine Maya2000Pro spectrometer and the target machine Optosky ATP2000 spectrometer. The experimental results of three sets of experiments show that the algorithm can be applied to different ratiometric spectrometers. After the EWMA-PCA normalization algorithm is used to standardize the water absorption spectrum data, the correlation coefficient reaches 99.576 5%, and the variance reaches 0.082 3%, and the peak offset can be reduced to 0.000 5%. Based on the EWMA-PCA normalized spectral normalization algorithm, it has wide adaptability, less need to transfer samples, and high transmission precision. The research results are widely used in spectroscopy water quality testing instruments. It has important theoretical guiding significance and reference value for engineering application.
Key words：Ultraviolet water spectroscopy; EWMA-PCA; Standardization; Normalization; Model transfer
周思寒，胡新宇，汤 斌，赵明富，李奉笑，汪仁杰，肖棋森，肖 渝. 一种基于EWMA-PCA的水质光谱数据标准化方法研究[J]. 光谱学与光谱分析, 2020, 40(11): 3443-3450.
ZHOU Si-han, HU Xin-yu, TANG Bin, ZHAO Ming-fu, LI Feng-xiao, WANG Ren-jie, XIAO Qi-sen, XIAO Yu. Application Research of Normalization Algorithm Based on EWMA-PCA in Standardization of Water Quality Spectral Data. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2020, 40(11): 3443-3450.
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