\name{msPurityData-package}
\alias{msPurityData-package}
\alias{msPurityData}
\docType{package}
\title{
Test data for the msPurity package
}
\description{
This data package contains test data to be used with package msPurity, see folders lcms and dims. This contains LC-MS, LC-MS/MS and DI-MS datasets in mzML format. There are also various .csv files and .rds files representing model outputs from the msPurity package. The LC-MS, LC-MS/MS and DI-MS datasets have been reduced in size by reducing the number of scans and m/z range.

The data package also contains a fragmentation spectral library created by msp2db (https://msp2db.readthedocs.io/en/latest/) with data from MassBank, GNPS, LipidBlast and HMDB. This is the default spectral library that is used with the spectral_matching with msPurity. The library data is from MoNA (http://mona.fiehnlab.ucdavis.edu/downloads) downloaded on 5th November 2018.

The dataset also contains data relating to the msPurity publication.
}
