Practical aspects of PARAFAC modeling of fluorescence excitation-emission data

被引：504

作者：

Andersen, CM

Bro, R

机构：

[1] Royal Vet & Agr Univ, Dept Food Sci, DK-1958 Frederiksberg C, Denmark

[2] Danish Inst Fisheries Res, Dept Seafood Res, DK-2800 Lyngby, Denmark

来源：

JOURNAL OF CHEMOMETRICS | 2003年 / 17卷 / 04期

关键词：

validation; scatter; missing values; outliers;

D O I：

10.1002/cem.790

中图分类号：

TP [自动化技术、计算机技术];

学科分类号：

0812 ;

摘要：

This paper presents a dedicated investigation and practical description of how to apply PARAFAC modeling to complicated fluorescence excitation-emission measurements. The steps involved in finding the optimal PARAFAC model are described in detail based on the characteristics of fluorescence data. These steps include choosing the right number of components, handling problems with missing values and scatter, detecting variables influenced by noise and identifying outliers. Various validation methods are applied in order to ensure that the optimal model has been found and several common data-specific problems and their solutions are explained. Finally, interpretations of the specific models are given. The paper can be used as a tutorial for investigating fluorescence landscapes with multi-way analysis. Copyright (C) 2003 John Wiley Sons, Ltd.

引用

页码：200 / 215

页数：16

共 38 条

[1] Fluorescence of muscle and connective tissue from cod and salmon
Andersen, CM
Wold, JP
[J]. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2003, 51 (02) : 470 - 476
[2] [Anonymous], 1984, RES METHODS MULTIMOD
[3] [Anonymous], THESIS ROYAL VET AGR
[4] Quality assessment of blue whiting (Micromesistius poutassou) during chilled storage by monitoring lipid damages
Aubourg, SP
Medina, I
Gallardo, JM
[J]. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 1998, 46 (09) : 3662 - 3666
[5] Multi-way chemometrics for mathematical separation of fluorescent colorants and colour precursors from spectrofluorimetry of beet sugar and beet sugar thick juice as validated by HPLC analysis
Baunsgaard, D
Andersson, CA
Arndal, A
Munck, L
[J]. FOOD CHEMISTRY, 2000, 70 (01) : 113 - 121
[6] Thawed chilled Barents Sea cod fillets in modified atmosphere packaging-application of multivariate data analysis to select key parameters in good manufacturing practice
Boknæs, N
Jensen, KN
Guldager, HS
Osterberg, C
Nielsen, J
Dalgaard, P
[J]. LEBENSMITTEL-WISSENSCHAFT UND-TECHNOLOGIE-FOOD SCIENCE AND TECHNOLOGY, 2002, 35 (05): : 436 - 443
[7] PARAFAC. Tutorial and applications
Bro, R
[J]. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1997, 38 (02) : 149 - 171
[8] Bro R, 1998, J CHEMOMETR, V12, P223, DOI 10.1002/(SICI)1099-128X(199807/08)12:4<223::AID-CEM511>3.3.CO
[9] 2-U
[10] Exploratory study of sugar production using fluorescence spectroscopy and multi-way analysis
Bro, R
[J]. CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 1999, 46 (02) : 133 - 147

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