To cite the PepsNMR package use:

  Martin, M., Legat, B., Leenders, J., Vanwinsberghe, J., Rousseau, R.,
  Boulanger, B., Eilers, P.H.C., De Tullio, P., Govaerts, B. (2018).
  PepsNMR for 1H NMR metabolomic data pre-processing. Analytica Chimica
  Acta, 1019, 1-13.

A BibTeX entry for LaTeX users is

  @Article{,
    author = {M. Martin and B. Legat and J. Leenders and J. Vanwinsberghe and R. Rousseau and B. Boulanger and P. H. C. Eilers and P. {De Tullio} and B. Govaerts},
    title = {PepsNMR for 1H NMR metabolomic data pre-processing.},
    journal = {Analytica Chimica Acta},
    issn = {0003-2670},
    year = {2018},
    volume = {1019},
    pages = {1 - 13},
    url = {http://www.sciencedirect.com/science/article/pii/S0003267018303490},
  }