Transfer of near-infrared multivariate calibrations without standards

被引:139
作者
Blank, TB
Sum, ST
Brown, SD
Monfre, SL
机构
[1] UNIV DELAWARE,DEPT CHEM & BIOCHEM,BROWN LAB,NEWARK,DE 19716
[2] NIRSYST,SILVER SPRING,MD 20904
关键词
D O I
10.1021/ac960388+
中图分类号
O65 [分析化学];
学科分类号
070302 [分析化学]; 081704 [应用化学];
摘要
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.
引用
收藏
页码:2987 / 2995
页数:9
相关论文
共 18 条
[1]
ACHIEVING TRANSFERABLE MULTIVARIATE SPECTRAL CALIBRATION MODELS - DEMONSTRATION WITH INFRARED-SPECTRA OF THIN-FILM DIELECTRICS ON SILICON [J].
ADHIHETTY, IS ;
MCGUIRE, JA ;
WANGMANEERAT, B ;
NIEMCZYK, TM ;
HAALAND, DM .
ANALYTICAL CHEMISTRY, 1991, 63 (20) :2329-2338
[2]
Standardization of near-infrared spectrometric instruments [J].
Bouveresse, E ;
Hartmann, C ;
Massart, DL ;
Last, IR ;
Prebble, KA .
ANALYTICAL CHEMISTRY, 1996, 68 (06) :982-990
[3]
Improvement of the piecewise direct standardisation procedure for the transfer of NIR spectra for multivariate calibration [J].
Bouveresse, E ;
Massart, DL .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1996, 32 (02) :201-213
[4]
Brown J.M., 1992, US Patent, Patent No. [5121337 A, 5121337]
[5]
DEAN T, 1996, COMPUTER ENHANCED AN
[6]
MULTIVARIATE CALIBRATION STANDARDIZATION [J].
DENOORD, OE .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1994, 25 (02) :85-97
[7]
PIECE-WISE MULTIPLICATIVE SCATTER CORRECTION APPLIED TO NEAR-INFRARED DIFFUSE TRANSMITTANCE DATA FROM MEAT-PRODUCTS [J].
ISAKSSON, T ;
KOWALSKI, B .
APPLIED SPECTROSCOPY, 1993, 47 (06) :702-709
[8]
Lorber A, 1996, J CHEMOMETR, V10, P215, DOI 10.1002/(SICI)1099-128X(199605)10:3<215::AID-CEM411>3.0.CO
[9]
2-V
[10]
Mark H., 1988, SPECTROSCOPY, V3, P28