To cite serrsBayes in publications use:

Moores MT, Carson J, Eddelbuettel D, Moskowitz B, Gracie K, Faulds K, Graham D, Girolami M (2026). serrsBayes: Bayesian Modelling of Raman Spectroscopy. doi:10.5281/zenodo.3861862. https://CRAN.R-project.org/package=serrsBayes.

The Bayesian model and SMC algorithm were first introduced in:

Moores MT, Gracie K, Carson J, Faulds K, Graham D, Girolami M (2026). “Bayesian modelling and quantification of Raman spectroscopy.” In Wood DR, Etheridge AM, de Gier J, Joshi N (eds.), 2025 MATRIX annals. Part II, volume 10 series MATRIX Book Ser., 417–428. Springer, Cham, Switzerland. doi:10.48550/arXiv.1604.07299. https://www.matrix-inst.org.au/wp_Matrix2016/wp-content/uploads/2025/2025_Pathiraja/MOORES.pdf.

The TAMRA+DNA spectrum in the lsTamra dataset was published in:

Gracie K, Moores MT, Smith WE, Harding K, Girolami M, Graham D, Faulds K (2016). “Preferential attachment of specific fluorescent dyes and dye labeled DNA sequences in a surface enhanced Raman scattering multiplex.” Analytical Chemistry, 88(2), 1147–1153. doi:10.1021/acs.analchem.5b02776.

The dataset is available under a CC BY 4.0 licence from:

Gracie K (2015). “Preferential attachment of specific fluorescent dyes and dye labelled DNA sequences in a SERS multiplex.” doi:10.15129/2c186689-2334-4746-955e-f9579ca15909. Dataset.

An extension of the model for CARS spectroscopy:

Härkönen T, Roininen L, Moores MT, Vartiainen EM (2020). “Bayesian quantification for coherent anti-Stokes Raman scattering spectroscopy.” The Journal of Physical Chemistry B, 124(32), 7005–7012. doi:10.1021/acs.jpcb.0c04378.

Corresponding BibTeX entries:

  @Manual{,
    title = {{serrsBayes}: {B}ayesian Modelling of {R}aman
      Spectroscopy},
    author = {Matthew T. Moores and Jake Carson and Dirk Eddelbuettel
      and Benjamin Moskowitz and Kirsten Gracie and Karen Faulds and
      Duncan Graham and Mark Girolami},
    year = {2026},
    doi = {10.5281/zenodo.3861862},
    url = {https://CRAN.R-project.org/package=serrsBayes},
  }

  @InCollection{Moores2026raman,
    title = {Bayesian modelling and quantification of {R}aman
      spectroscopy},
    author = {Matthew T. Moores and Kirsten Gracie and Jake Carson and
      Karen Faulds and Duncan Graham and Mark Girolami},
    editor = {D. R. Wood and A. M. Etheridge and J. {de Gier} and N.
      Joshi},
    booktitle = {2025 {MATRIX} annals. {P}art {II}},
    series = {MATRIX Book Ser.},
    volume = {10},
    pages = {417--428},
    publisher = {Springer},
    address = {Cham, Switzerland},
    year = {2026},
    doi = {10.48550/arXiv.1604.07299},
    url =
      {https://www.matrix-inst.org.au/wp_Matrix2016/wp-content/uploads/2025/2025_Pathiraja/MOORES.pdf},
  }

  @Article{,
    title = {Preferential attachment of specific fluorescent dyes and
      dye labeled {DNA} sequences in a surface enhanced {R}aman
      scattering multiplex},
    author = {Kirsten Gracie and Matthew T. Moores and W. Ewen Smith
      and Kerry Harding and Mark Girolami and Duncan Graham and Karen
      Faulds},
    journal = {Analytical Chemistry},
    year = {2016},
    volume = {88},
    number = {2},
    pages = {1147--1153},
    doi = {10.1021/acs.analchem.5b02776},
  }

  @Misc{,
    title = {Preferential attachment of specific fluorescent dyes and
      dye labelled {DNA} sequences in a {SERS} multiplex},
    author = {Kirsten Gracie},
    year = {2015},
    publisher = {University of Strathclyde},
    note = {Dataset},
    doi = {10.15129/2c186689-2334-4746-955e-f9579ca15909},
  }

  @Article{Harkonen2020,
    title = {Bayesian quantification for coherent anti-{S}tokes {R}aman
      scattering spectroscopy},
    author = {Teemu Härkönen and Lassi Roininen and Matthew T. Moores
      and Erik M. Vartiainen},
    journal = {The Journal of Physical Chemistry B},
    year = {2020},
    volume = {124},
    number = {32},
    pages = {7005--7012},
    doi = {10.1021/acs.jpcb.0c04378},
  }