4台便携式近红外光谱仪间纸浆中木质素预测校准模型的传递

IF 1.6 4区 化学 Q3 CHEMISTRY, APPLIED Journal of Near Infrared Spectroscopy Pub Date : 2022-08-01 DOI:10.1177/09670335221110013
Xiaoxue Zhang, Xinyu Chen, Zhi-xin Xiong, H. Siesler, Long Liang
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引用次数: 5

摘要

为了减少近红外(NIR)模型开发和维护的时间和成本,研究了在4种不同的便携式光谱仪(1台主仪器和3台靶仪器)上测量的近红外光谱的传递,以预测纸浆木材的木质素含量。采用切削和研磨法制备了82个木材样品,用4台光谱仪记录了样品的近红外光谱。利用偏最小二乘(PLS)回归建立了测定纸浆木材中木质素的校准模型,并利用平均马氏距离(AMD)和平均光谱差(ADS)来量化光谱差。然后应用分段直接标准化(PDS),并与直接标准化(DS)、斜率/偏差校正(SBC)和典型相关分析(CCA)进行了比较。通过比较模型的预测性能,对模型的准确性进行了评价。结果表明,采用这三种算法后,三种目标仪器的预测性能都得到了很大的提高。PDS算法的优点是传输集所需的样本较少,这意味着在实际应用中模型维护成本较低。在窗口大小的设置过程中,发现如果主目标光谱仪之间的光谱差异较大,则需要使用较大的窗口大小,如果光谱差异横向偏移较大,则需要使用合适的窗口大小的非对称窗口,以保证PDS算法具有良好的传输性能。
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Transfer of a calibration model for the prediction of lignin in pulpwood among four portable near infrared spectrometers
In order to reduce the time and cost for near infrared (NIR) model development and maintenance, the transfer of NIR spectra measured on four different portable spectrometers (one master and three target instruments) for predicting the lignin content of pulp wood is investigated in this work. Eighty-two wood samples were prepared by chipping and grinding, and their NIR spectra were recorded with four spectrometers. Calibration models for the determination of lignin in pulp wood have been developed by partial least squares (PLS) regression, while average Mahalanobis distances (AMD) and average differences of spectra (ADS) were used to quantify the spectral differences. Then piecewise direct standardization (PDS) has been applied, and compared to direct standardization (DS), slope/bias correction (SBC) and canonical correlation analysis (CCA). The accuracy of the models has been evaluated by comparing their prediction performance. The results indicated that the prediction performances of the three target instruments are greatly improved by using the three algorithms. The advantage of the PDS algorithm is that fewer samples are required for the transfer sets, which means lower model maintenance cost for practical applications. When it comes to window size setting procedure, it was found that if there are large spectral differences between the master and the target spectrometer, a large window size should be used and if the spectral difference is a significant lateral shift, an asymmetric window with appropriate window size is necessary to ensure a good transfer performance for the PDS algorithm.
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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.
期刊最新文献
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