title: An automated approach for analysis of Fourier Transform Infrared (FTIR) spectra of edible oils.
abstract: This paper reports a computational approach for analysis of FTIR spectra where peaks are detected, assigned and matched across samples to produce a peak table with rows corresponding to samples and columns to variables. The algorithm is applied on a dataset of 103 spectra of a broad range of edible oils for exploratory analysis and variable selection using Self Organising Maps (SOMs) and t-statistics, respectively. Analysis on the resultant peak table allows the underlying patterns and the discriminatory variables to be revealed. The algorithm is user-friendly; it involves a minimal number of tunable parameters and would be useful for analysis of a large and complicated FTIR dataset.
authors.affiliation: Universiti Malaysia Sarawak, Faculty of Resource Science and Technology, 94300 Kota Samarahan, Sarawak, Malaysia. sfsim@frst.unimas.my
authors.forename: Siong Fong
authors.initials: SF
authors.lastname: Sim
authors.forename: Woei
authors.initials: W
authors.lastname: Ting
mesh_terms: D000465:Algorithms; D057205:Automation, Laboratory; D002138:Calibration; D005504:Food Analysis; D015999:Multivariate Analysis; D010938:Plant Oils / Q000032:analysis*; D017550:Spectroscopy, Fourier Transform Infrared
chemical_list: D010938:Plant Oils