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- W2023589024 abstract "The vapor-phase infrared spectra of mixtures of o-, m-, and p-xylene exhibit significantly overlapped spectral features. Quantitative multicomponent analysis of these vapor-phase spectra was performed by partial least squares (PLS) regression. The errors introduced by the temperature dependence of band widths in vapor-phase samples can be minimized by including spectra measured over the temperature range expected for the unknown samples in the calibration set. The PLS model was calculated on the basis of 124 spectra of different xylene calibration samples measured at different temperatures and optimized by cross validation. The error in concentration of mixtures of the xylenes measured in this way was improved to about ±1% for each component at temperatures between 35° and 65°C, an improvement of about a factor of five over the case where the calibration spectra were all measured at 35°C." @default.
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- W2023589024 date "1994-07-01" @default.
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- W2023589024 title "Minimization of quantitative errors for analysis of vapor-phase infrared spectra measured at different temperatures by partial least squares regression" @default.
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- W2023589024 doi "https://doi.org/10.1016/0022-4073(94)90138-4" @default.
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