首页|偏最小二乘法在激光诱导击穿光谱定量分析中的应用研究

偏最小二乘法在激光诱导击穿光谱定量分析中的应用研究

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介绍了激光诱导击穿光谱(laser induced breakdown spectroscopy,LIBS)技术、主元分析(principal component an alysis,PCA)法和偏最小二乘(partial least squares,PLS)法的基本原理.对Pb元素特征谱线附近的 36 个维度进行主成分信息提取,对 36 维波长数据压缩到 2 维后,采用每个样品的 20 个脉冲的主元分数进行偏最小二乘拟合,对数据进行平均处理后,拟合结果质量较高,拟合系数平方的值从 0.498 10 提高到 0.970 00;残差平方和从0.725 29 下降到 1.363 66*10-4.PCA法可以有效的缩减具有一定相关性的样本数据空间,对于数据维度较大的数据处理能显著提升效率,再结合PLS法拟合压缩后的主元,实验结论得出PLS适合用于LIBS定量分析.
Application of Partial Least Squares Method to Quantitative Analysis of Laser-induced Breakdown Spectra
The basic principles of laser induced breakdown spectroscopy(LIBS)technique,principal component analysis(PCA)method and partial least squares(PLS)method were introduced.The principal component information was extracted from 36 dimensions near the characteristic spectral line of the Pb element,and the 36-dimensional wavelength data were compressed to 2 dimensions,and then the principal component scores of 20 pulses for each sample were used for partial least squares fitting,and after averaging the data,the fitting results were of high quali ty,with the value of the squared fitting coefficient increasing from 0.498 10 to 0.970 00;and the sum of squares of the residuals decreasing from 0.725 29 decreased to 1.363 66*10-4.The PCA method can effectively reduce the space of sample data with certain correlation,and can significantly improve the efficiency of data processing for data with large dimensions,and combined with the PLS method to fit the compressed principal elements,the experimen tal conclusion concludes that PLS is suitable for LIBS quantitative analysis.

laser-induced breakdown spectroscopyelemental Pbprincipal element analysispartial least squares method

李宏达、王耀霆、胡琪昊、王超明

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沈阳理工大学 装备工程学院,辽宁 沈阳

中国医科大学附属第一医院,辽宁 沈阳

沈阳东科拉科技有限公司,辽宁 沈阳

激光诱导击穿光谱 Pb元素 主元分析 偏最小二乘法

2024

科学技术创新
黑龙江省科普事业中心

科学技术创新

影响因子:0.842
ISSN:1673-1328
年,卷(期):2024.(16)
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