removal of the 1st order rayleigh scatter effect Åsmund rinnan
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![Page 1: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/1.jpg)
Removal of the 1st order Rayleigh scatter effect
Åsmund Rinnan
![Page 2: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/2.jpg)
Fluorescence - EEM
Excita
tion
Emission
IntroductionTreating scatter
Revelation
A step back
Good reasons
Model scatter
Conclusion
![Page 3: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/3.jpg)
PARAFAC
ijk
F
fkfjfifijk ecbax
1
X is the EEMa are the scoresb are the emissionsc are the excitationsE is the residual
An extension from PCA
ij
F
fjfifij eptx
1
IntroductionTreating scatter
Revelation
A step back
Good reasons
Model scatter
Conclusion
![Page 4: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/4.jpg)
Light scatter in Fluorescence
Excita
tion
Emission
2n
d o
rder
Rayle
igh
1st
ord
er
Rayle
igh
Ram
an
IntroductionTreating scatter
Revelation
A step back
Good reasons
Model scatter
Conclusion
![Page 5: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/5.jpg)
Why is this a problem?X
X
IntroductionTreating scatter
Revelation
A step back
Good reasons
Model scatter
Conclusion
![Page 6: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/6.jpg)
EEM’s with analytes
IntroductionTreating scatter
Revelation
A step back
Good reasons
Model scatter
Conclusion
![Page 7: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/7.jpg)
Ways of treating scatter
•Subtraction of standard
•Cut off and insert missing
•Weights•Modeling of Rayleigh
Introduction
Treating scatterRevelation
A step back
Good reasons
Model scatter
Conclusion
![Page 8: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/8.jpg)
Subtraction of standardIt is not always possible with a standard
Introduction
Treating scatterRevelation
A step back
Good reasons
Model scatter
Conclusion
![Page 9: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/9.jpg)
Why isn’t onemethod enough!?
• The data presented so far is a bit simple Sugar data
Excitation
Emission 1st o
rder
Ray
leig
h
Introduction
Treating scatterRevelation
A step back
Good reasons
Model scatter
Conclusion
![Page 10: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/10.jpg)
Cutting off – inserting zeros
Emission loadings Excitation loadings
Introduction
Treating scatterRevelation
A step back
Good reasons
Model scatter
Conclusion
![Page 11: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/11.jpg)
Weighting - MILES
Emission loadings Excitation loadings
Introduction
Treating scatterRevelation
A step back
Good reasons
Model scatter
Conclusion
![Page 12: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/12.jpg)
So now everybody says
• We need a new model to take care of this
• Hold your horses (a bit longer)
Introduction
Treating scatter
RevelationA step back
Good reasons
Model scatter
Conclusion
![Page 13: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/13.jpg)
Band of missing values
Introduction
Treating scatter
Revelation
A step backGood reasons
Model scatter
Conclusion
![Page 14: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/14.jpg)
Using a band of missing valuesHard weights
Emission loadings Excitation loadings
Introduction
Treating scatter
Revelation
A step backGood reasons
Model scatter
Conclusion
![Page 15: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/15.jpg)
Using a band of missing valuesMILES weights
Emission loadings Excitation loadings
Introduction
Treating scatter
Revelation
A step backGood reasons
Model scatter
Conclusion
![Page 16: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/16.jpg)
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!
Introduction
Treating scatter
Revelation
A step back
Good reasonsModel scatter
Conclusion
![Page 17: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/17.jpg)
Ways of modeling Rayleigh
• Rasmus has tested a Gauss-Lorentz curve fitting method
Introduction
Treating scatter
Revelation
A step back
Good reasons
Model scatterConclusion
![Page 18: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/18.jpg)
Modeling Rayleigh
Introduction
Treating scatter
Revelation
A step back
Good reasons
Model scatterConclusion
![Page 19: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/19.jpg)
Fancy doesn’t mean good
Introduction
Treating scatter
Revelation
A step back
Good reasons
Model scatterConclusion
![Page 20: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/20.jpg)
With constraints even better
Emission loadings Excitation loadings
Introduction
Treating scatter
Revelation
A step back
Good reasons
Model scatterConclusion
![Page 21: Removal of the 1st order Rayleigh scatter effect Åsmund Rinnan](https://reader035.vdocument.in/reader035/viewer/2022062308/56649d405503460f94a1a909/html5/thumbnails/21.jpg)
Conclusion
• Modeling is less sensitive to the estimated Rayleigh peak
• Give good models, even without constraints or other modifications of the data (band of missing values)
• The shifting method is relatively fast
Introduction
Treating scatter
Revelation
A step back
Good reasons
Model scatter
Conclusion