title: Method for Removing Spectral Contaminants to Improve Analysis of Raman Imaging Data.
abstract: The spectral contaminants are inevitable during micro-Raman measurements. A key challenge is how to remove them from the original imaging data, since they can distort further results of data analysis. Here, we propose a method named "automatic pre-processing method for Raman imaging data set (APRI)", which includes the adaptive iteratively reweighted penalized least-squares (airPLS) algorithm and the principal component analysis (PCA). It eliminates the baseline drifts and cosmic spikes by using the spectral features themselves. The utility of APRI is illustrated by removing the spectral contaminants from a Raman imaging data set of a wood sample. In addition, APRI is computationally efficient, conceptually simple and potential to be extended to other methods of spectroscopy, such as infrared (IR), nuclear magnetic resonance (NMR), X-Ray Diffraction (XRD). With the help of our approach, a typical spectral analysis can be performed by a non-specialist user to obtain useful information from a spectroscopic imaging data set.
authors.affiliation: Beijing Key Laboratory of Lignocellulosic Chemistry, Beijing Forestry University, Beijing, 100083, China.
authors.forename: Xun
authors.initials: X
authors.lastname: Zhang
authors.affiliation: Beijing Key Laboratory of Lignocellulosic Chemistry, Beijing Forestry University, Beijing, 100083, China.
authors.forename: Sheng
authors.initials: S
authors.lastname: Chen
authors.affiliation: Beijing Key Laboratory of Lignocellulosic Chemistry, Beijing Forestry University, Beijing, 100083, China.
authors.forename: Zhe
authors.initials: Z
authors.lastname: Ling
authors.affiliation: Beijing Key Laboratory of Lignocellulosic Chemistry, Beijing Forestry University, Beijing, 100083, China.
authors.forename: Xia
authors.initials: X
authors.lastname: Zhou
authors.affiliation: Beijing Key Laboratory of Lignocellulosic Chemistry, Beijing Forestry University, Beijing, 100083, China.
authors.forename: Da-Yong
authors.initials: DY
authors.lastname: Ding
authors.affiliation: Department of Wood Science and Engineering, Chonnam National University, Gwangju 500757, South Korea.
authors.forename: Yoon Soo
authors.initials: YS
authors.lastname: Kim
authors.affiliation: Beijing Key Laboratory of Lignocellulosic Chemistry, Beijing Forestry University, Beijing, 100083, China.
authors.forename: Feng
authors.initials: F
authors.lastname: Xu