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无需标准品的近红外多元校准转移

Transfer of Near-Infrared Multivariate Calibrations without Standards.

作者信息

Blank T B, Sum S T, Brown S D, Monfre S L

机构信息

Department of Chemistry and Biochemistry, Brown Laboratory, University of Delaware, Newark, Delaware 19716.

出版信息

Anal Chem. 1996 Sep 1;68(17):2987-95. doi: 10.1021/ac960388+.

DOI:10.1021/ac960388+
PMID:21619367
Abstract

A novel approach to the transfer of multivariate calibration is proposed. This method is based on the finite impulse response (FIR) filtering of a set of spectra to be transferred, using a spectrum on the target instrument to direct the filtering process. Often, the target spectrum is the mean of a calibration set. The method is compared against direct transfer and piecewise direct transfer on near-infrared reflectance spectra in two representative data sets. Results from these studies suggest that FIR transfer compares favorably with piecewise direct transfer in terms of accuracy and precision of the match of transferred spectra to the predictive calibration models developed on the target instrument. Unlike piecewise direct transfer, FIR transfer requires no measurement of standard samples on both the source and target spectrometers. Details and current limitations of the FIR transfer method are presented.

摘要

提出了一种多元校准转移的新方法。该方法基于对一组待转移光谱进行有限脉冲响应(FIR)滤波,利用目标仪器上的光谱来指导滤波过程。通常,目标光谱是校准集的均值。在两个代表性数据集中,将该方法与近红外反射光谱的直接转移和分段直接转移进行了比较。这些研究结果表明,在转移光谱与在目标仪器上建立的预测校准模型的匹配精度和精密度方面,FIR转移与分段直接转移相比具有优势。与分段直接转移不同,FIR转移不需要在源光谱仪和目标光谱仪上都测量标准样品。文中介绍了FIR转移方法的细节和当前局限性。

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