1. Getting rid of Rayleigh Åsmund Rinnan

2. Introduction Fluorescence Light source Sample Detector Excites sample Emitted from sample

3. Introduction Fluorescence

4. Introduction PARAFAC X is the EEM a are the scores b are the emissionspectra c are the excitationspectra E is the residuals Can be seen as an expansion of PCA from two-way data to multi-way data

5. = A B C Introduction PARAFAC & Fluorescence

6. Catechol Hydroquinone

7. Introduction ”Faking” fluorescence

8. Introduction Light scatter

9. Introduction Light scatter – The trouble maker Excitation Emission 2nd order Rayleigh 1st order Rayleigh Raman

10. Introduction Light scatter

11. Introduction Bi-linearity

12. Introduction Why is this a problem? X X

13. Example Fluorescence & PARAFAC

14. Getting rid of Rayleigh Subtraction of standard Cut off and insert missing/ zeros Weights Modeling of Rayleigh

15. Subtracting a standard

16. Missing values Missing values Zeros Signal/ Data area Thygesen, Rinnan, Barsberg & Møller

17. Example 18 wood samples 4 different levels of p-benzoquinone adsorbed in the fiber cell walls 30 emission wavelengths x 35 excitation wavelengths Thygesen, Rinnan, Barsberg & Møller

18. WOW! None Weighted Non-Negativity Zeros

19. So, now Rayleigh is finished, right? The data presented so far is a bit simple  Sugar data Excitation Emission 1st order Rayleigh

20. Weighting - MILES Emission loadingsExcitation loadings

21. Band of missing values

22. Using a band of missing values Hard weights Emission loadingsExcitation loadings

23. Using a band of missing values MILES weights Emission loadingsExcitation loadings

24. Another method? Why, why, why? The Rayleigh scatter width has to be estimated quite accurately The band width of missing data should also be correct What about an automatic method of removing the Rayleigh scatter, that was not so prone to the estimation of the width of the Rayleigh scatter? Modeling the Rayleigh is the answer!

25. Modeling Rayleigh A Gauss-Lorentz curve fitting method

26. Modeling Rayleigh Rinnan, Booksh & Bro

27. Modeling Rayleigh

28. With constraints even better Emission loadingsExcitation loadings Rinnan, Booksh & Bro

29. Thanks to: Rasmus Bro, Karl Booksh, Lisbeth G Thygesen, Søren Barsberg, Jens K S Møller and Charlotte Andersen Thank you for your attention