1 November 2010 Chemical mixture estimation under a Poisson Raman spectroscopy model
Ryan D. Palkki, Aaron D. Lanterman
Author Affiliations +
Abstract
Many methods have previously been devised to estimate the relative amounts of chemicals present in a measured Raman spectrum. However, relatively little work has been done on developing physics-based probabilistic models for the measurement system. Drawing from previous work in astronomical image restoration, we model the acquired data based on the physics of two key components in our Raman instrumentation: the spectrometer and the charge-coupled device detector. Under this model, we derive Cramér-Rao lower bounds for the mixing coefficients of the target spectra. This bound is compared against the performance of several classification algorithms. The non-negative iteratively reweighted least-squares algorithm is seen to give performance that is nearly identical to the more computationally demanding expectation-maximization approach; this is true even at weak signal levels.
©(2010) Society of Photo-Optical Instrumentation Engineers (SPIE)
Ryan D. Palkki and Aaron D. Lanterman "Chemical mixture estimation under a Poisson Raman spectroscopy model," Optical Engineering 49(11), 113601 (1 November 2010). https://doi.org/10.1117/1.3506203
Published: 1 November 2010
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CITATIONS
Cited by 10 scholarly publications and 2 patents.
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KEYWORDS
Raman spectroscopy

Chemical analysis

Data modeling

Charge-coupled devices

Sensors

Detection and tracking algorithms

Expectation maximization algorithms

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