Designed Fluorescence EEM Data for Second-Order Calibration

Fluorescence excitation-emission matrix (EEM) measurements of 405 laboratory-prepared samples containing known mixtures of six fluorophores: catechol, hydroquinone, indole, resorcinol, tryptophane, and tyrosine. The dataset was designed for second-order calibration tests, PARAFAC/multi-way modeling, and related fluorescence spectroscopy method development. The archive contains designed_fluorescence_eem.mat and a publication-ready README.md. The MATLAB file contains the original fluor and conc structures. The main fluorescence array is fluor.data, arranged as sample x emission x excitation x replicate with shape 405 x 136 x 19 x 5. The concentration matrix is conc.data, shape 405 x 6. The source documentation describes 12 experimental dataset groups within the same arrays. The dataset number for each sample is stored in fluor.class{1,1,2}, with the metadata label fluor.class{1,2,2} equal to Dataset. The same sample metadata is also present in conc.class. The source MATLAB file uses structures compatible with the Eigenvector Research Dataset Object format used by PLS_Toolbox. The numeric arrays and metadata are available directly through the fluor and conc structures. Original source page: https://ucphchemometrics.com/designed-fluorescence-data/ Original ERDA package: https://sid.erda.dk/share_redirect/e3BkBwE6jr/Fluorescence.zip If you use this data, please cite: Rinnan, Å. Application of PARAFAC on Spectral Data. PhD thesis, Royal Veterinary and Agricultural University, Denmark, 2004; and Bro, R.; Rinnan, Å.; Faber, N.M. (2005). Standard error of prediction for multilinear PLS: 2. Practical implementation in fluorescence spectroscopy. Chemometrics and Intelligent Laboratory Systems, 75(1), 69-76. https://doi.org/10.1016/j.chemolab.2004.04.014