| 光谱学与光谱分析 |
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| Application of Digital Fourier Filtering Pretreatment Method to Improving Robustness of Multivariate Calibration Model in Near Infrared Spectroscopy |
| LI Qing-bo1,ZHANG Guang-jun1*,XU Ke-xin2,WANG Yan2 |
1. Key Laboratory of Precision Opto-mechatronics Technology,Ministry of Education,Beijing University of Aeronautics and Astronautics,Beijing 100083,China
2. State Key Laboratory of Precision Measuring Technology and Instruments,Tianjin University,Tianjin 300072,China |
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Abstract In the application of near infrared spectral analysis,it often occurs that the multivariate calibration model can only predict accurately the samples whose measuring conditions are the same as those of the training set. When the measuring conditions of the predicted samples change,the calibration model would predict the measured samples with greater prediction errors. In the present paper,digital Fourier filtering pretreatment method was used for the glucose aqueous solution temperature experiments. Experiment 1 was carried out at constant 25 ℃,while experiment 2 at constant 30 ℃. Experiment 3 was performed at ambient temperature. Samples of experiment 1 and experiment 2 were employed as the training set to optimize the calibration model. And then the samples of experiment 3 were used as the validation set to evaluate the prediction error of the model. The results showed that the root mean square of prediction error (RMSEP) of the validation set was 664.47 mg·dL-1 for the partial least squares (PLS) calibration model without digital Fourier filtering pretreatment,while the RMSEP of the validation set was reduced to 58.43 mg·dL-1 for the PLS calibration model with digital Fourier filtering pretreatment,and the correlation coefficient between prediction values and reference values increased. It is showed that the digital Fourier filtering pretreatment method could improve robustness of the multivariate calibration model.
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Received: 2006-11-29
Accepted: 2007-02-26
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Corresponding Authors:
ZHANG Guang-jun
E-mail: gjzhang@buaa.edu.cn
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| Cite this article: |
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LI Qing-bo,ZHANG Guang-jun,XU Ke-xin, et al. Application of Digital Fourier Filtering Pretreatment Method to Improving Robustness of Multivariate Calibration Model in Near Infrared Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2007, 27(08): 1484-1488.
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| URL: |
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https://www.gpxygpfx.com/EN/Y2007/V27/I08/1484 |
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