Elimination of interference information by a new hybrid algorithm for quantitative calibration of near infrared spectra.
Elimination of interference information by a new hybrid algorithm for quantitative calibration of near infrared spectra.
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DOI：
10.1039/b305023h
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发表时间：
2003-08
期刊：
影响因子：
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通讯作者：
Chen Da;F. Wang;X. Shao;Q. Su
中科院分区：
文献类型：
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作者：
Chen Da;F. Wang;X. Shao;Q. Su
针对近红外光谱多变量定标中的噪声、背景和与浓度无关的系统光谱变化等干扰信息，提出了一种新的混合算法。该方法由两部分组成：基于连续小波变换的近似导数(CWT)和正交信号校正(OSC)。经连续小波变换计算近似导数后，进行声学扫描。将该方法成功地应用于实际复杂的近红外光谱数据，消除了干扰信息。对近红外光谱的干扰进行了校正，大大提高了预测精度，得到了更简洁的校正模型。与几种前处理方法相比，该方法也具有较好的效果，为近红外光谱的多元校正提供了一种高效的前处理工具。此外，这里提出的策略也可以应用于各种其他用于定量目的的光谱数据。
A new hybrid algorithm is proposed to eliminate the interference information for multivariate calibration of near-infrared (NIR) spectra that includes noise, background and systemic spectral variation irrelevant to concentration. The method consists of two parts: approximate derivative based on continuous wavelet transform (CWT) and orthogonal signal correction (OSC). After the approximate derivative calculated by CWT, OSC was performed. It was successfully applied to real complex NIR spectral data to eliminate the interference information. Correction for the interference of NIR spectra resulted in a substantial improvement in the predicted precision, and a more concise calibration model was obtained. The proposed procedure also compared favourably with several pretreatment methods, and the new method appears to provide a high-performance pretreatment tool for multivariate calibration of NIR spectra. In addition, the strategy proposed here can be applied to various other spectral data for quantitative purposes as well.