短波红外高光谱成像数据的偏最小二乘判别分析和分层建模在路易波士药材产地和质量鉴别中的应用

IF 1.6 4区 化学 Q3 CHEMISTRY, APPLIED
J. Colling, M. Muller, E. Joubert, F. Marini
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引用次数: 0

摘要

利用短波红外高光谱成像技术对路易波士茶(Aspalathus linearis)进行了基于产地和品质等级的区分能力测试,旨在取代行业中耗时的感官分析。通过交叉验证对标定模型的潜变量数量和模型参数进行优化。用分类错误率来评价模型在根据产地和质量等级对路易波士红茶进行分类时的性能。采用二阶导数预处理的偏最小二乘判别分析模型,对9个lv进行均值定心和纳入,确定了路易波士的产地。该模型能够成功区分两个产区,对预测集的分类准确率为100%。为了区分不同的质量等级,建立了二阶导数预处理的层次模型。A级与B、C、D级(BCD类)区分的准确率为100%,D级与B、C级(BC类)区分的准确率为96%。然而,该模型在区分B级和C级样本方面准确率较低,B级和C级的预测准确率分别为82%和66%。因此,近红外高光谱成像的应用有可能取代感官分析在路易波士茶工业中的应用,以预测这种凉茶的生产区域和质量等级。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Investigating partial least squares discriminant analysis and hierarchical modelling of short wave infrared hyperspectral imaging data to distinguish production area and quality of rooibos (Aspalathus linearis)
Short wave infrared hyperspectral imaging was tested for its ability to distinguish rooibos tea (Aspalathus linearis) based on production area and quality grade, with the aim to replace time-consuming sensory analysis in the industry. The number of latent variables and model parameters of the calibration model were optimised by cross-validation. Classification error rates were used to evaluate the performance of the models in classifying rooibos based on production area and quality grade. The production area of rooibos was distinguished by applying a partial least square-discriminant analysis model with second derivative pre-processing, followed by mean centering and inclusion of nine LVs. The model could successfully distinguish between the two production areas and had a classification accuracy of 100% for the prediction set. To distinguish between different quality grades, a hierarchical model with second derivative pre-processing was developed. Grade A could be distinguished successfully from grades B, C and D (class BCD) with 100% accuracy and grade D could be distinguished from grades B and C (class BC) with 96% accuracy. However, the model was less accurate to distinguish between grade B and C samples, with prediction accuracies of 82 and 66% for B and C, respectively. Application of near infrared hyperspectral imaging therefore offers the potential to replace the use of sensory analysis in the rooibos tea industry to predict production area and quality grade of this herbal tea.
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来源期刊
CiteScore
3.30
自引率
5.60%
发文量
35
审稿时长
6 months
期刊介绍: JNIRS — Journal of Near Infrared Spectroscopy is a peer reviewed journal, publishing original research papers, short communications, review articles and letters concerned with near infrared spectroscopy and technology, its application, new instrumentation and the use of chemometric and data handling techniques within NIR.
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