Noise in FT-IR spectral data processing |
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| Institution: | 1. Department of Chemistry, National Central University, Chung-Li 320, Taiwan;2. Public Health Studies, Johns Hopkins University, Baltimore, MD 21218, USA;1. Centre for Research and Development of Medical Diagnostic Laboratories, Faculty of Associated Medical Sciences, Khon Kaen University, Khon Kaen, Thailand;2. Cholangiocarcinoma Research Institute, Khon Kaen University, Khon Kaen, Thailand;3. Graduate School, Khon Kaen University, Khon Kaen, Thailand;4. Department of Microbiology, Faculty of Medicine, Khon Kaen University, Khon Kaen, Thailand;1. Laboratorio de Inteligencia Artificial y Supercómputo, Instituto de Física y Matemáticas, Universidad Michoacana de San Nicolás de Hidalgo, Morelia 58040, Mexico;2. Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, Apartado Postal 70-543, Ciudad de México 04510, Mexico;1. Institute of Organic Chemistry with Centre of Phytochemistry, Bulgarian Academy of Sciences, Acad. G. Bonchev Str. bl. 9, 1113 Sofia, Bulgaria;2. Institute of Organic Chemical Technology, West Pomeranian University of Technology Szczecin, Pulaski Str. 10, 70-322 Szczecin, Poland;3. Department of Inorganic and Analytical Chemistry, West Pomeranian University of Technology Szczecin, Piastow 42, 71-065, Szczecin, Poland;4. Institute of Biophysics and Biomedical Engineering, Bulgarian Academy of Sciences, Acad. G. Bonchev Str., bl. 21, 1113 Sofia, Bulgaria;1. Laboratory of Organic NanoPhotonics and Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, No. 29 Zhongguancun East Road, Beijing 100190, PR China;2. Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences, No. 266 Fangzheng Ave, Shuitu Technology Development Zone, Beibei District, Chongqing 400714, PR China;3. University of Chinese Academy of Sciences, Beijing 100190, PR China |
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| Abstract: | A series of exploratory works on resolution enhancement, precision in wavenumber, integrated band intensity measures, and noise level control were performed on FT-IR spectra using standard mathematical techniques of data processing. In this communication, the infrared (IR) absorption band corresponding to the ν8 mode of dichloromethane, CH2Cl2, was studied in benzene solution.Fourier self-deconvolution of the CH2Cl2 ν8 band was carried out using standard software supplied for the purpose. Second and fourth derivative spectra were obtained with the “Nicolet” software parameter “DR1”. Self-deconvolution in Fourier space and derivative techniques were used to decrease the band full-width at half-height (FWHH) and achieve an apparent band resolution enhancement.The total area under the self-deconvoluted band is not exactly the same as under the original band. Under optimum self-deconvolution conditions, the integrated area increases by 6.9 % as compared with the out-of-phane CH bending W(CH2) original band. However, a linear relationship between the integrated area of the self-deconvoluted band and FWHH of the original Lorentzian component was observed.The applicability and potential advantages of the self-deconvolution and derivation methods in spectral data processing are strongly limited by the noise level or signal-to-noise ratio (SNR) of the original IR spectra. |
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