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serrsBayes

Bayesian Modelling of Raman Spectroscopy

Sequential Monte Carlo (SMC) algorithms for fitting a generalised additive mixed model (GAMM) to surface-enhanced resonance Raman spectroscopy (SERRS), using the method of Moores et al. (2016) <arXiv:1604.07299>. Multivariate observations of SERRS are highly collinear and lend themselves to a reduced-rank representation. The GAMM separates the SERRS signal into three components: a sequence of Lorentzian, Gaussian, or pseudo-Voigt peaks; a smoothly-varying baseline; and additive white noise. The parameters of each component of the model are estimated iteratively using SMC. The posterior distributions of the parameters given the observed spectra are represented as a population of weighted particles.

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VersionRepositoryFileSize
0.5-0 rolling linux/jammy R-4.5 serrsBayes_0.5-0.tar.gz 1.1 MiB
0.5-0 rolling linux/noble R-4.5 serrsBayes_0.5-0.tar.gz 1.1 MiB
0.5-0 rolling source/ R- serrsBayes_0.5-0.tar.gz 915.8 KiB
0.5-0 latest linux/jammy R-4.5 serrsBayes_0.5-0.tar.gz 1.1 MiB
0.5-0 latest linux/noble R-4.5 serrsBayes_0.5-0.tar.gz 1.1 MiB
0.5-0 latest source/ R- serrsBayes_0.5-0.tar.gz 915.8 KiB
0.5-0 2026-04-26 source/ R- serrsBayes_0.5-0.tar.gz 915.8 KiB
0.5-0 2026-04-23 source/ R- serrsBayes_0.5-0.tar.gz 915.8 KiB
0.5-0 2026-04-09 windows/windows R-4.5 serrsBayes_0.5-0.zip 1.5 MiB
0.5-0 2025-04-20 source/ R- serrsBayes_0.5-0.tar.gz 915.8 KiB

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