基于PCR和PLS的蔗糖浓度透反射测量方法研究
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国家自然科学青年基金(No.31101748);北京市农林科学院创新能力建设专项(No.KJCX201102001)资助


Sucrose concentration measurement by transmission and reflection spectroscopy based on PCR and PLS
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    摘要:

    利用近红外透反射光谱技术,研究短波近红外光谱(780~1100nm)无损检测蔗糖溶液的可行性,并通过主成分回归(PCR)和偏最小二乘(PLS)方法建立了蔗糖溶液的近红外定量分析模型。采用Savitzky-Golay卷积平滑(5点)和多元散射校正(MSC)进行预处理,并且对预处理后的数据进行建模分析。PCR定量分析的结果:主成分数PC=7,交互验证相关系数 RCV=0.957335,交互验证的校正标准偏差RMSECV=0.015859;PLS定量分析结果:主成分数PC=4,交互验证相关系数RCV=0.975789,交互验证的校正标准偏差RMSECV=0.012251。分别用PCR和PLS的校正模型对预测集样本进行预测,两种模型的预测标准偏差RMSEP分别为0.0127,0.0118。二者均对高浓度蔗糖溶液的预测结果比较理想,而且在PLS模型下,77%以上的样本相对误差在10%以下,较PCR模型的高。综合结果,PLS所建立的模型简单,而且精度很高,所以,基于短波近红外光谱的蔗糖浓度的快速无损检测是可行的。

    Abstract:

    Near-infrared spectra of trans-reflective is applied to determine the feasibility of nondestructive testing of the sucrose solution in the near-infrared wavelength range of 780~1100nm,and principal component regression (PCR) and partial least squares(PLS) are used to establish the near-infrared quantitative analysis model of sucrose solution.After the pretreatment of (Savitzky-Golay) 5 points smoothing and multiplicative scatter correction (MSC),the (PCR and PLS) calibration model is made.The results of quantitative analysis of PCR are the number of principal component PC=7,the correlation coefficient RCV=0.957335,root mean square error of cross validation RMSECV=0.015859;The results of quantitative analysis of PLS are the number of principal component PC=4,the correlation coefficient RCV=0.975789,root mean square error of cross-validation RMSECV=0.012251.The prediction samples are predicted respectively by the calibration model of PCR and PLS.Root mean square errors of prediction are 0.0127,0.0118 respectively.Both of the methods are satisfactory for the predicted results of high concentration samples.The relative errors of more than 77% of validation samples are below 10% using PLS.All of results show that PLS model is simpler and its prediction accuracy is higher,and short-wave near-infrared spectrometry is a valuable,rapid and nondestructive tool for the quantitative analysis of sucrose solution.

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王亚红,周萍,董大明,郑文刚,叶松,王文重.基于PCR和PLS的蔗糖浓度透反射测量方法研究[J].激光与红外,2014,44(5):528~532
WANG Ya-hong, ZHOU Ping, DONG Da-ming, ZHENG Wen-gang, YE Song, WANG Wen-zhong. Sucrose concentration measurement by transmission and reflection spectroscopy based on PCR and PLS[J]. LASER & INFRARED,2014,44(5):528~532

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  • 在线发布日期: 2014-05-23
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