This paper describes a data preprocessing algorithm that can be used to mitigate the effects of interfering spectral components when the goal is to detect the spectrum of unknown components in a mixture of known components or to verify the presence of suspected components in the spectrum of a mixture of known components. The algorithm is both relatively simple and applicable to a wide range of problems in spectroscopy. The range of applicability can be increased by combining the method with other data preprocessing methods, for example derivative spectra, and can also accommodate variability in the spectra of one or more of the known components. Examples of the application of the algorithm to real problems are given for near-infrared analysis of antibiotic drug formulations inside gelatin capsules and mid-infrared analysis of atmospheric pollutants.

本文描述了一种数据预处理算法，当目标是检测已知成分混合物中未知成分的光谱或验证混合物光谱中可疑成分的存在时，该算法可用于减轻干扰光谱成分的影响的已知组件。该算法相对简单，适用于光谱学中的广泛问题。通过将该方法与其他数据预处理方法（例如导数光谱）相结合，可以增加适用范围，并且还可以适应一种或多种已知成分的光谱的可变性。