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首页> 外文期刊>Journal of Environmental Science and Health. A, Toxic/Hazardous Substances & Environmental Engineering >Orthogonal Signal Correction Used for Noise Elimination of Open Path Fourier Transform Infrared Spectra
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Orthogonal Signal Correction Used for Noise Elimination of Open Path Fourier Transform Infrared Spectra

机译：正交信号校正用于消除开路傅里叶变换红外光谱的噪声

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摘要

Open path Fourier transform infrared (OP-FTIR) spectroscopy is qualified in detecting mixtures by multivariate calibration methods such as partial least squares (PLS); however, its applications are still restricted by background noise, which is unavoidable for OP-FTIR spectra and cannot be resolved solely by multivariate calibration methods. Hence OP-FTIR spectra are often pretreated before the data are subjected to the multivariate calibration model. A new preprocessing technique, orthogonal signal correction (OSC), was presented in this paper. The principle of OSC is to remove the part in X orthogonal to Y, and it is implemented based on PLS and nonlinear iterative partial least squares (NIPALS) algorithm. The approach was applied to three different data sets of PLS model. It performed much better than classical PLS when handling data with noise but comparably when processing on the simulated data. Moreover, OSC could reduce the complexity of model, which would facilitate the interpretation of the models. The results reveal that the proposed method gives much better prediction than the classical PLS and is very promising for the wide use of OP-FTIR. The preprocessing technique, auto-scaling, and second-order derivatives (SOD) were also considered.
机译：开放路径傅立叶变换红外（OP-FTIR）光谱技术可通过多元校准方法（例如偏最小二乘（PLS））检测混合物。但是，其应用仍然受到背景噪声的限制，这对于OP-FTIR光谱是不可避免的，并且不能仅通过多元校准方法来解决。因此，OP-FTIR光谱通常在对数据进行多元校准模型之前进行预处理。本文提出了一种新的预处理技术，正交信号校正（OSC）。 OSC的原理是删除X中与Y正交的部分，它是基于PLS和非线性迭代偏最小二乘（NIPALS）算法实现的。该方法已应用于PLS模型的三个不同数据集。在处理带有噪声的数据时，它的性能比传统的PLS好得多，但是在对模拟数据进行处理时，性能却相当。而且，OSC可以减少模型的复杂性，这将有助于模型的解释。结果表明，所提出的方法比经典的PLS可以提供​​更好的预测，对于OP-FTIR的广泛应用非常有希望。还考虑了预处理技术，自动缩放和二阶导数（SOD）。

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