This repository was set up to centralise several data workflows used by the McLeod group to undergo untargeted metabolomic analysis.
To use any of the workflows (or parts thereof) in any public or private material please seek premission from the McLeod group (RSC, ANU) and/or Christopher Fitzgerald.
For Publication purposes please reference, Dr. Christopher Charles Jung-Hua Fitzgerald (OrcID 0000-0003-3935-4300) and Professor Malcolm D. McLeod (OrcID 0000-0002-2343-3226).
There are several workflows contained with in this repository that serve different functions to identify sulfated metabolites from untargeted dda metabolomic data sets. The following publication, Profiling Urinary Sulfate Metabolites With Mass Spectrometry, has demonstrated an example of the workflows, @https://doi.org/10.3389/fmolb.2022.829511.
Please be considerate when using the workflows.
For any further details please email either malcolm.mcleod@anu.edu.au or cfitzgerald@marum.de