Temperature robust multivariate calibration: an overview of methods for dealing with temperature influences on near infrared spectra

被引:48
作者
Hageman, JA [1 ]
Westerhuis, JA [1 ]
Smilde, AK [1 ]
机构
[1] Univ Amsterdam, SILS, NL-1018 WV Amsterdam, Netherlands
关键词
temperature robust multivariate calibration; overview;
D O I
10.1255/jnirs.457
中图分类号
O69 [应用化学];
学科分类号
081704 ;
摘要
Multivariate calibration is a powerful tool for establishing a relationship between spectral variables and properties of interest. Usually, changes in spectral variables are ascribed to changes in the chemical composition of the sample. However, spectral intensities that are measured at varying temperatures do not only change because of changes in sample composition but also respond to the change in temperature. In these cases, multivariate calibration can be (severely) hindered, resulting in a loss of prediction capabilities. This paper provides an overview of the characteristics and possibilities of (most) methods for temperature robust multivariate calibration. The methods are discussed by using two data sets.
引用
收藏
页码:53 / 62
页数:10
相关论文
共 34 条
[1]  
[Anonymous], 0244 ESATSISTA KU LE
[2]   DETERMINATION OF PHYSIOLOGICAL LEVELS OF GLUCOSE IN AN AQUEOUS MATRIX WITH DIGITALLY FILTERED FOURIER-TRANSFORM NEAR-INFRARED SPECTRA [J].
ARNOLD, MA ;
SMALL, GW .
ANALYTICAL CHEMISTRY, 1990, 62 (14) :1457-1464
[3]   Determination of alcohol content in beverages using short-wave near-infrared spectroscopy and temperature correction by transfer calibration procedures [J].
Barboza, FD ;
Poppi, RJ .
ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 2003, 377 (04) :695-701
[4]   Optimizing meta-parameters in continuous piecewise direct standardization [J].
Bärring, HK ;
Boelens, HFM ;
de Noord, OE ;
Smilde, AK .
APPLIED SPECTROSCOPY, 2001, 55 (04) :458-466
[5]  
BAUMANN K, 2003, TRENDS ANAL CHEM, V22, P6
[6]   Standardisation of near-infrared spectrometric instruments: A review [J].
Bouveresse, E ;
Massart, DL .
VIBRATIONAL SPECTROSCOPY, 1996, 11 (01) :3-15
[7]   Elimination of uninformative variables for multivariate calibration [J].
Centner, V ;
Massart, DL ;
deNoord, OE ;
deJong, S ;
Vandeginste, BM ;
Sterna, C .
ANALYTICAL CHEMISTRY, 1996, 68 (21) :3851-3858
[8]  
Coates J., 2000, ENCY ANAL CHEM, P10815, DOI DOI 10.1002/9780470027318.A5606
[9]   MULTIVARIATE CALIBRATION STANDARDIZATION [J].
DENOORD, OE .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1994, 25 (02) :85-97
[10]   Development of a robust calibration model for nonlinear in-line process data [J].
Despagne, F ;
Massart, DL ;
Chabot, P .
ANALYTICAL CHEMISTRY, 2000, 72 (07) :1657-1665