title: A local pre-processing method for near-infrared spectra, combined with spectral segmentation and standard normal variate transformation.
abstract: Pre-processing of near-infrared (NIR) spectral data has become a necessary part of chemometrics modeling and is widely used in many practical applications. The objective of the pre-processing is to remove physical phenomena in the spectra in order to improve subsequent qualitative or quantitative analysis. Herein, a localized version of standard normal variate (SNV) is proposed, in which the correction parameters are estimated from local spectral areas. The method of determining the optimal spectral segmentation is also presented. Compared with full range methods, the local method demonstrates advantages in spectral linearity correction, model interpretation and prediction accuracy. Several benchmark NIR data sets were studied in our experiments; the proposed method achieved comparable performance against proven full range methods, with the reduction of prediction errors being statistically significant in many cases.
authors: Technology Center, China Tobacco Zhejiang Industrial Co., Ltd, Hangzhou, 310008, China; College of Control Science and Engineering, Zhejiang University, Hangzhou, 310027, China. Electronic address: yimbi@163.com.
authors: Yiming
authors: Y
authors: Bi
authors: Technology Center, China Tobacco Zhejiang Industrial Co., Ltd, Hangzhou, 310008, China.
authors: Kailong
authors: K
authors: Yuan
authors: Technology Center, China Tobacco Zhejiang Industrial Co., Ltd, Hangzhou, 310008, China.
authors: Weiqiang
authors: W
authors: Xiao
authors: Technology Center, China Tobacco Zhejiang Industrial Co., Ltd, Hangzhou, 310008, China.
authors: Jizhong
authors: J
authors: Wu
authors: Technology Center, China Tobacco Zhejiang Industrial Co., Ltd, Hangzhou, 310008, China.
authors: Chunyun
authors: C
authors: Shi
authors: Technology Center, China Tobacco Zhejiang Industrial Co., Ltd, Hangzhou, 310008, China.
authors: Jun
authors: J
authors: Xia
authors: Technology Center, China Tobacco Zhejiang Industrial Co., Ltd, Hangzhou, 310008, China.
authors: Guohai
authors: G
authors: Chu
authors: College of Control Science and Engineering, Zhejiang University, Hangzhou, 310027, China.
authors: Guangxin
authors: G
authors: Zhang
authors: Technology Center, China Tobacco Zhejiang Industrial Co., Ltd, Hangzhou, 310008, China. Electronic address: zhougj@zjtobacco.com.
authors: Guojun
authors: G
authors: Zhou
mesh_terms: D000465:Algorithms; D016208:Databases, Factual; D008460:Meat / Q000032:analysis*; D004364:Pharmaceutical Preparations / Q000032:analysis*; D019265:Spectroscopy, Near-Infrared / Q000379:methods* / Q000592:standards; D013607:Tablets / Q000032:analysis
chemical_list: D004364:Pharmaceutical Preparations; D013607:Tablets
keywords: Local method; Near-infrared spectroscopy; Pre-processing; Standard normal variate