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Application of PA and PDS Algorithm to RS-FTIR Spectra Calibration Transfer


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Application of PA and PDS Algorithm to RS-FTIR Spectra Calibration Transfer
HU Lan-pingGE Cun-wangJIANG Guo-qingSHI Jian
School of Chemistry and Chemical Engineering,Nantong University,Nantong 226007,China
remote sensing Fourier transform infrared spectrum piecewise direct standardization Procrustes analysis multivariate calibration calibration transfer multicomponent analysis
To solve the problem of calibration transfer in multivariate calibration of chemometrics,Procrustes analysis(PA) algorithm and piecewise direct standardization(PDS) algorithm are applied.Acetone,benzene,chloroform and methanol,four air toxic organic compounds with the seriously overlapping IR spectrogram,are analyzed.The spectra data are selected from American EPA database and remote sensing Fourier transform infrared(RS-FTIR) spectrum data measured in the laboratory.The influence of the principal factor number and the transfer sample number on transferring results is studied,and the root mean square error of prediction(RMSEP) of four component systems in PA and PDS algorithm is calculated and compared.The predicted result shows that both of the two methods gain good calibration transfer effect and PA is better than PDS.Taking acetone for an example,the RMSEP is 0.145 in PDS while the RMSEP is 0.122 in PA.


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