Interference correction by extracting the information of interference dominant regions: application to near-infrared spectra.
Interference such as baseline drift and light scattering can degrade the model predictability in multivariate analysis of near-infrared (NIR) spectra. Usually interference can be represented by an additive and a multiplicative factor. In order to eliminate these interferences, correction parameters are needed to be estimated from spectra. However, the spectra are often mixed of physical light scattering effects and chemical light absorbance effects, making it difficult for parameter estimation. Herein, a novel algorithm was proposed to find a spectral region automatically that the interesting chemical absorbance and noise are low, that is, finding an interference dominant region (IDR). Based on the definition of IDR, a two-step method was proposed to find the optimal IDR and the corresponding correction parameters estimated from IDR. Finally, the correction was performed to the full spectral range using previously obtained parameters for the calibration set and test set, respectively. The method can be applied to multi target systems with one IDR suitable for all targeted analytes. Tested on two benchmark data sets of near-infrared spectra, the performance of the proposed method provided considerable improvement compared with full spectral estimation methods and comparable with other state-of-art methods.
Institute of Automation, Chinese Academy of Sciences, Beijing 100190, China. Electronic address: yiming.bi@ia.ac.cn.
Yiming
Y
Bi
Institute of Automation, Chinese Academy of Sciences, Beijing 100190, China.
Liang
L
Tang
Institute of Automation, Chinese Academy of Sciences, Beijing 100190, China.
Peng
P
Shan
Institute of Automation, Chinese Academy of Sciences, Beijing 100190, China.
Qiong
Q
Xie
Institute of Automation, Chinese Academy of Sciences, Beijing 100190, China.
Yong
Y
Hu
Institute of Automation, Chinese Academy of Sciences, Beijing 100190, China.
Silong
S
Peng
Institute of Automation, Chinese Academy of Sciences, Beijing 100190, China.
Jie
J
Tan
Food Research Institute, Tasly Group, Tianjin 300410, China.
Changwen
C
Li
D000465:Algorithms; D008027:Light; D012542:Scattering, Radiation; D019265:Spectroscopy, Near-Infrared / Q000379:methods*
Cross-validation; Interference correction; Light scattering; Near-infrared spectroscopy; Pre-processing