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) <doi:10.48550/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.
| Version: | 0.5-0 |
| Depends: | R (≥ 3.5.0),Matrix,truncnorm, splines |
| Imports: | Rcpp (≥ 0.11.3), methods |
| LinkingTo: | Rcpp,RcppEigen |
| Suggests: | testthat,knitr,rmarkdown,Hmisc |
| Published: | 2021-06-28 |
| DOI: | 10.32614/CRAN.package.serrsBayes |
| Author: | Matt Moores [aut, cre], Jake Carson [aut], Benjamin Moskowitz [ctb], Kirsten Gracie [dtc], Karen Faulds [dtc], Mark Girolami [aut], Engineering and Physical Sciences Research Council [fnd] (EPSRC programme grant ref: EP/L014165/1), University of Warwick [cph] |
| Maintainer: | Matt Moores <mmoores at gmail.com> |
| BugReports: | https://github.com/mooresm/serrsBayes/issues |
| License: | GPL-2 |GPL-3 | fileLICENSE [expanded from: GPL (≥ 2) | file LICENSE] |
| URL: | https://github.com/mooresm/serrsBayes,https://mooresm.github.io/serrsBayes/ |
| NeedsCompilation: | yes |
| Citation: | serrsBayes citation info |
| Materials: | README,NEWS |
| In views: | ChemPhys |
| CRAN checks: | serrsBayes results |
Documentation:
| Reference manual: | serrsBayes.html ,serrsBayes.pdf |
| Vignettes: | Introducing serrsBayes (source,R code) Methanol example (source,R code) |
Downloads:
| Package source: | serrsBayes_0.5-0.tar.gz |
| Windows binaries: | r-devel:serrsBayes_0.5-0.zip, r-release:serrsBayes_0.5-0.zip, r-oldrel:serrsBayes_0.5-0.zip |
| macOS binaries: | r-release (arm64):serrsBayes_0.5-0.tgz, r-oldrel (arm64):serrsBayes_0.5-0.tgz, r-release (x86_64):serrsBayes_0.5-0.tgz, r-oldrel (x86_64):serrsBayes_0.5-0.tgz |
| Old sources: | serrsBayes archive |
Linking:
Please use the canonical formhttps://CRAN.R-project.org/package=serrsBayesto link to this page.