结合SNV的分段直接标准化方法在拉曼光谱模型传递中的应用

为了实现拉曼光谱在不同仪器上的模型传递,文章提出了一种改进的分段直接标准化算法.该方法先利用标准正态变换法对光谱数据进行处理,以减少源机与目标机之间的光谱背景与强度影响,再采用分段直接标准化算法消除不同仪器间对样本信息反应差异,实现拉曼光谱的全谱传递.此外,还提出了传递误差率指标用于对光谱传递效果的定量评价.针对汽油拉...

The application of piecewise direct standardization with SNV in calibration transfer of Raman spectra

To implement calibration transfer between Raman spectrometers, an improved piecewise direct standardization (PDS) is proposed in the present paper. Standard normal variate (SNV) is firstly introduced to reduce the influence of spectral background and intensity corresponding to the master spectrometer and the slave spectrometer; then PDS algorithm is used to eliminate the differences between Raman spectra for a specific sample. Moreover, a new quantitative criterion, called transfer error rate, is proposed to evaluate the performance of calibration model transfer. This improved PDS is applied to Raman spectral analysis of gasoline. The result shows that the proposed algorithm not only needs a small quantity of transfer samples, but also obtains high transfer accuracy and strong model robustness.