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Fitting Nonlinear Calibration Curves: No Models Perfect

Fitting Nonlinear Calibration Curves: No Models Perfect
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摘要 The study of the calibration of a series of compounds of environmental concern (six perfluoroalkyl compounds (perfluorooctane sulfonic acid and five perfluoroalkyl carboxylic acids), three preservatives (methyl-, ethyl- and propylparabens) and the brominated flame retardant hexabromocyclododecane) by LC-MS/MS has been carries out, with a view to their simultaneous determination in samples of environmental interest. In some cases nonlinear calibration curves are obtained, but restricting the concentration range a linear model may be used to fit the data. Residual analysis has been performed in order to verify which models fit the data better, opting for a compromise decision given the apparent complexity of residuals plots. As Box states there are no perfect models (but models that work better than others). The study of the calibration of a series of compounds of environmental concern (six perfluoroalkyl compounds (perfluorooctane sulfonic acid and five perfluoroalkyl carboxylic acids), three preservatives (methyl-, ethyl- and propylparabens) and the brominated flame retardant hexabromocyclododecane) by LC-MS/MS has been carries out, with a view to their simultaneous determination in samples of environmental interest. In some cases nonlinear calibration curves are obtained, but restricting the concentration range a linear model may be used to fit the data. Residual analysis has been performed in order to verify which models fit the data better, opting for a compromise decision given the apparent complexity of residuals plots. As Box states there are no perfect models (but models that work better than others).
出处 《Journal of Analytical Sciences, Methods and Instrumentation》 2017年第1期1-17,共17页 分析科学方法和仪器期刊(英文)
关键词 CALIBRATION Non Linear CALIBRATION Residual Analysis Liquid Chromatography-Tandem Mass SPECTROMETRY Emerging POLLUTANTS Calibration Non Linear Calibration Residual Analysis Liquid Chromatography-Tandem Mass Spectrometry Emerging Pollutants
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