Untargeted Metabolomics Workflow > Data archiving and reporting > Citing the tools

Citing the tools

Citing the tools we’ve used

Below is a handy ticklist of tools we have used in the workflow. Please make sure to cite them if you use them:

Cite all R packages used in our functions (see function at start of each R code to produce list of references)
Use citation(R) and RStudio.Version() to get the version information for R and RStudio that you have used for analysis
Proteowizard (SeeMS and MSConvert) citation
Up-to-date Metaboanalyst citation
Up-to-date XCMS online and METLIN citations
MassUp citation
MassBank citation (include access date)
Up-to-date ECMDB citation (don’t forget any other organism specific metabolite databases you use)
Up-to-date KEGG citation (including BRITE, COMPOUND and PATHWAY)
Up-to-date PubChem citation
Write a data availability statement in any publication that links to your archived data in MetaboLights

To cite this workflow:

Parker, Ε.J.; Billane, K.C.; Austen, N.; Cotton, A.; George, R.M.; Hopkins, D.; Lake, J.A.; Pitman, J.K.; Prout, J.N.; Walker, H.J.; Williams, A.; Cameron, D.D. Untangling the Complexities of Processing and Analysis for Untargeted LC-MS Data Using Open-source Tools. Metabolites 2023, 13(4), 463; https://doi.org/10.3390/metabo13040463