An automated approach for analysis of Fourier Transform Infrared (FTIR) spectra of edible oils
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...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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Elsevier B.V.
2012
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| Online Access: | http://ir.unimas.my/id/eprint/17663/ http://ir.unimas.my/id/eprint/17663/1/An%20automated%20approach%20for%20analysis%20of%20Fourier%20Transform%20Infrared%20%28abstract%29.pdf |
| _version_ | 1848838338549645312 |
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| author | Siong-Fong, Sim Woei, Ting |
| author_facet | Siong-Fong, Sim Woei, Ting |
| author_sort | Siong-Fong, Sim |
| building | UNIMAS Institutional Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-15T06:53:58Z |
| format | Article |
| id | unimas-17663 |
| institution | Universiti Malaysia Sarawak |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T06:53:58Z |
| publishDate | 2012 |
| publisher | Elsevier B.V. |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | unimas-176632017-09-19T01:27:17Z http://ir.unimas.my/id/eprint/17663/ An automated approach for analysis of Fourier Transform Infrared (FTIR) spectra of edible oils Siong-Fong, Sim Woei, Ting T Technology (General) 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. Elsevier B.V. 2012 Article PeerReviewed text en http://ir.unimas.my/id/eprint/17663/1/An%20automated%20approach%20for%20analysis%20of%20Fourier%20Transform%20Infrared%20%28abstract%29.pdf Siong-Fong, Sim and Woei, Ting (2012) An automated approach for analysis of Fourier Transform Infrared (FTIR) spectra of edible oils. Talanta, 88. pp. 537-543. ISSN 0039-9140 http://www.sciencedirect.com/science/article/pii/S0039914011010125 doi:10.1016/j.talanta.2011.11.030 |
| spellingShingle | T Technology (General) Siong-Fong, Sim Woei, Ting An automated approach for analysis of Fourier Transform Infrared (FTIR) spectra of edible oils |
| title | An automated approach for analysis of Fourier Transform Infrared (FTIR) spectra of edible oils |
| title_full | An automated approach for analysis of Fourier Transform Infrared (FTIR) spectra of edible oils |
| title_fullStr | An automated approach for analysis of Fourier Transform Infrared (FTIR) spectra of edible oils |
| title_full_unstemmed | An automated approach for analysis of Fourier Transform Infrared (FTIR) spectra of edible oils |
| title_short | An automated approach for analysis of Fourier Transform Infrared (FTIR) spectra of edible oils |
| title_sort | automated approach for analysis of fourier transform infrared (ftir) spectra of edible oils |
| topic | T Technology (General) |
| url | http://ir.unimas.my/id/eprint/17663/ http://ir.unimas.my/id/eprint/17663/ http://ir.unimas.my/id/eprint/17663/ http://ir.unimas.my/id/eprint/17663/1/An%20automated%20approach%20for%20analysis%20of%20Fourier%20Transform%20Infrared%20%28abstract%29.pdf |