UrineSpectra: NMR metabolomic spectra from urine samples of 18 mice.

Description Usage Format Details Source


NMR metabolomic spectra from urine samples of 18 mice, each belonging to one of two treatment groups. Each spectrum has 189 spectral bins, measured in parts per million (ppm).

Covariates associated with the mice were also recorded: the weight of each mouse is provided.




A list containing

  1. a matrix with 18 rows and 189 columns

  2. a data frame with 18 observations on 2 variables:

    • Treatment group membership of each animal.

    • Weight (in grammes) of each animal.


This is simulated data, based on parameter estimates from a PPCA model with two prinicipal components fitted to a similar real data set.


Nyamundanda, G., Gormley, I.C. and Brennan, L. (2010) Probabilistic principal components analysis for metabolomic data. Technical report. University College Dublin, Ireland.

MetabolAnalyze documentation built on Aug. 31, 2019, 5:05 p.m.