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Advances in Data Processing for Open-Path Fourier Transform Infrared Spectrometry of Greenhouse Gases

机译:温室气体开放路径傅里叶变换红外光谱数据处理的进展

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摘要

The automated quantification of three greenhouse gases, ammonia, methane, and nitrous oxide, in the vicinity of a large dairy farm by open-path Fourier transform infrared (OP/FT-IR) spectrometry at intervals of 5 min is demonstrated. Spectral pretreatment, including the automated detection and correction of the effect of interrupting the infrared beam, is by a moving object, and the automated correction for the nonlinear detector response is applied to the measured interferograms. Two ways of obtaining quantitative data from OP/FT-IR data are described. The first, which is installed in a recently acquired commercial OP/FT-IR spectrometer, is based on classical leastsquares (CLS) regression, and the second is based on partial least-squares (PLS) regression. It is shown that CLS regression only gives accurate results if the absorption features of the analytes are located in very short spectral intervals where lines due to atmospheric water vapor are absent or very weak; of the three analytes examined, only ammonia fell into this category. On the other hand, PLS regression works allowed what appeared to be accurate results to be obtained for all three analytes.
机译:演示了通过开放路径傅立叶变换红外光谱(OP / FT-IR)在5分钟的间隔内对大型奶牛场附近的三种温室气体,氨气,甲烷和一氧化二氮进行自动定量的方法。光谱预处理包括移动物体的光谱预处理,包括自动检测和校正中断红外线的效果,并将非线性检测器响应的自动校正应用于所测量的干涉图。描述了从OP / FT-IR数据获得定量数据的两种方法。第一个安装在最近购买的商用OP / FT-IR光谱仪中,基于经典最小二乘(CLS)回归,第二个基于偏最小二乘(PLS)回归。结果表明,CLS回归仅在分析物的吸收特征位于非常短的光谱间隔(其中没有或几乎没有由大气水蒸气引起的谱线)的光谱区间内时才能给出准确的结果;在所检查的三种分析物中,只有氨属于这一类。另一方面,PLS回归工作允许对所有三种分析物都获得准确的结果。

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