首页> 外文期刊>Journal of Analytical Atomic Spectrometry >The spectral fusion of laser-induced breakdown spectroscopy (LIBS) and mid-infrared spectroscopy (MIR) coupled with random forest (RF) for the quantitative analysis of soil pH
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The spectral fusion of laser-induced breakdown spectroscopy (LIBS) and mid-infrared spectroscopy (MIR) coupled with random forest (RF) for the quantitative analysis of soil pH

机译:激光诱导的击穿光谱(LIBS)和中红外光谱(MIR)的光谱融合与随机森林(RF)相结合,用于土壤pH的定量分析

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摘要

Soil pH is one of the important properties of soil. The quick and accurate determination of soil pH is key to realizing precision agriculture and understanding soil characteristics and fertility. Previous research established a soil pH measurement method based on laser-induced breakdown spectroscopy (LIBS) technology combined with random forest (RF) (the determination coefficient of cross validation (R_c~2) was 0.9995, the root mean square error of cross validation (RMSEC) was 0.0201; the determination coefficient of prediction (R_p~2) was 0.9687, and the root mean square error of prediction (RMSEP) was 0.1285). This study explored the impact of three different spectral preprocessing methods (first derivative (D1st), multivariate scattering correction (MSC), and standard normal variation (SNV)) on the prediction performance of the RF correction model using 21 soil samples, as in the previous study. The input variables were optimized through variable importance thresholds. Then, a method was established based on mid-infrared (MIR) technology combined with RF for the qualitative analysis of soil pH (R_p~2 = 0.9887, RMSEC = 0.0875. R_p~2 = 0.9208, RMSEP = 0.1476, and the mean relative error (MRE) was 0.0168). Meanwhile, a soil pH measurement method based on a LIBS-MIR spectral data fusion strategy combined with RF was further established. The results showed that the RF calibration model based on intermediate spectral data fusion showed better prediction abilities [R_c~2 = 0.9997, RMSEC = 0.0163, R_p~2 = 0.9809, RMSEP = 0.0645. and MRE = 0.0065). Compared with a spectral analysis method based on LIBS or MIR alone, this study provides new ideas and new methods for the rapid, accurate, and quantitative analysis of soil pH.
机译:土壤pH值是土壤的重要属性之一。快速,准确地测定土壤pH值的关键是要实现精准农业和理解土壤特性和肥力。先前的研究建立了一种基于激光诱导击穿光谱(LIBS)技术和随机森林(RF)组合(交叉验证的确定系数的土壤pH值测量方法(R_C〜2)为0.9995,交叉验证的根均方误差( RMSEC)为0.0201;预测的决定系数(R_P〜2)是0.9687,和预测的根均方差(RMSEP)为0.1285)。本研究探讨了三种不同光谱预处理方法上使用21个土壤样品的RF校正模型的预测性能的影响(一阶导数(D1st),多元散射校正(MSC),和标准的正常变异(SNV)),如在以前的研究。输入变量是通过可变重要性阈值优化。然后,基于(MIR)技术中红外与RF合并为土壤pH值的定性分析建立的方法(R_P〜2 = 0.9887,RMSEC = 0.0875。R_P〜2 = 0.9208,RMSEP = 0.1476,平均相对误差(MRE)为0.0168)。同时,进一步建立了基于一个LIBS-MIR光谱数据融合策略与RF组合的土壤pH值测量方法。结果表明,基于中间光谱数据融合的RF校准模型显示出更好的预测能力[R_C〜2 = 0.9997,RMSEC = 0.0163,R_P〜2 = 0.9809,RMSEP = 0.0645。和MRE = 0.0065)。与仅基于LIBS或MIR频谱分析方法相比,这项研究提供了新的思路和土壤pH值的快速,准确,定量分析的新方法。

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  • 来源
    《Journal of Analytical Atomic Spectrometry》 |2021年第5期|1084-1092|共9页
  • 作者单位

    Key Laboratory of Synthetic and Natural Functional Molecular Chemistry of Ministry of Education College of Chemistry & Material Science Northwest University Xi'an 710127 China;

    Xi'an Wanlong Pharmaceutical Co. Ltd Xi'an 710119 China;

    Key Laboratory of Synthetic and Natural Functional Molecular Chemistry of Ministry of Education College of Chemistry & Material Science Northwest University Xi'an 710127 China;

    Key Laboratory of Synthetic and Natural Functional Molecular Chemistry of Ministry of Education College of Chemistry & Material Science Northwest University Xi'an 710127 China;

    Key Laboratory of Synthetic and Natural Functional Molecular Chemistry of Ministry of Education College of Chemistry & Material Science Northwest University Xi'an 710127 China College of Chemistry and Chemical Engineering Xi'an Shiyou University Xi'an 710065 China;

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  • 入库时间 2022-08-19 01:56:48

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