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暨南大学理工学院光电工程系
收稿日期:2009-06-22,
修回日期:2009-09-04,
网络出版日期:2010-03-22,
纸质出版日期:2010-03-22
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潘涛. 应用近红外漫反射光谱快速测定土壤锌含量[J]. 光学精密工程, 2010,18(3):586-592
Near-Infrared Diffuse Reflectance Spectroscopy and Partial Least Square Method was Applied to Rapid Analysis of Soil Zinc Content[J]. Optics and precision engineering, 2010, 18(3): 586-592.
采用近红外漫反射光谱和偏最小二乘法(PLS)方法建立土壤锌快速分析的定量模型,并进行波段优选。首先基于单波长模型预测效果将全体样品划分为定标集和预测集。然后采用多元散射校正(MSC)和Savitzky-Golay(SG)平滑方法对光谱进行预处理。选取下列5个波段:全谱400-2500nm、400-1100nm、1100-1900nm、1900-2500nm、580-900nm。每个波段分别采用原谱、一阶导数谱、二阶导数谱,共建立了15个定标模型。同时调整SG平滑点数和PLS因子数,每个模型分别进行PLS数值实验,按照预测效果进行优选。结果表明,采用1900-2500nm波段一阶导数谱的模型效果最好,预测相关系数(RP)、RMSEP、RRMSEP分别为0.806、31.0 mg/kg、19.96%。1900-2500nm波段可以代替全谱波段得到更好的预测效果,为设计专用土壤近红外光谱仪提供依据。
The quantification model of zinc rapid analysis in the soil was established by using near-infrared diffuse reflectance spectroscopy and partial least square (PLS) method
and the wave band was optimal selected. All the samples were divided into calibration set and prediction set based on the prediction effect of single wavelength model. And the spectra were pretreated by multiplicative scatter correction (MSC) and Savitzky-Golay (SG) smoothing method. The following five wave bands were selected: the whole region 400-2500nm、400-1100nm、1100-1900nm、1900-2500nm、580-900nm. By adopting the original spectra
the first derivative spectra and the second derivative spectra respectively in each band
15 calibration models were constructed. By simultaneous adjusting SG smoothing point’s number and PLS factor,comparing of many PLS computational experiments for each model
the best model was selected according to the prediction effect. The results show that the prediction effect of the model using the first derivative spectra on 1900-2500nm is the best
and the prediction correlation coefficient (RP)
RMSEP and RRMSEP are 0.806
31.0mg/kg
and 19.96% respectively. It shows that 1900-2500nm can replace the whole band get better calibration effect
and provide basis for the design of special soil near-infrared spectroscopy instrument.
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