Is core consistency a too conservative diagnostic?
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Is core consistency a too conservative diagnostic? / Halberg, Helene Fog Froriep; Bevilacqua, Marta; Rinnan, Åsmund.
In: Journal of Chemometrics, Vol. 37, No. 5, e3483, 2023.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - Is core consistency a too conservative diagnostic?
AU - Halberg, Helene Fog Froriep
AU - Bevilacqua, Marta
AU - Rinnan, Åsmund
N1 - Publisher Copyright: © 2023 The Authors. Journal of Chemometrics published by John Wiley & Sons Ltd.
PY - 2023
Y1 - 2023
N2 - Fluorescence spectroscopy combined with parallel factor analysis (PARAFAC) has successfully been applied for the analysis of food and beverages containing numerous autofluorescent compounds. For the decomposition of such data, it is crucial to establish the PARAFAC model complexity. This is not a trivial matter, especially when the sample complexity increases. Diagnostics are available for assisting the choice of the number of PARAFAC components, such as the core consistency. In this short communication, we show that when it comes to real (complex) data, the core consistency is too conservative and other diagnostic tools must be taken into account. We emphasize that it is imperative to inspect the PARAFAC excitation and emission loadings and assess whether these are chemically meaningful.
AB - Fluorescence spectroscopy combined with parallel factor analysis (PARAFAC) has successfully been applied for the analysis of food and beverages containing numerous autofluorescent compounds. For the decomposition of such data, it is crucial to establish the PARAFAC model complexity. This is not a trivial matter, especially when the sample complexity increases. Diagnostics are available for assisting the choice of the number of PARAFAC components, such as the core consistency. In this short communication, we show that when it comes to real (complex) data, the core consistency is too conservative and other diagnostic tools must be taken into account. We emphasize that it is imperative to inspect the PARAFAC excitation and emission loadings and assess whether these are chemically meaningful.
KW - complex food sample analysis
KW - core consistency
KW - fluorescence spectroscopy
KW - PARAFAC model complexity
KW - parallel factor analysis (PARAFAC)
U2 - 10.1002/cem.3483
DO - 10.1002/cem.3483
M3 - Journal article
AN - SCOPUS:85157992658
VL - 37
JO - Journal of Chemometrics
JF - Journal of Chemometrics
SN - 0886-9383
IS - 5
M1 - e3483
ER -
ID: 347889036