The informatics group has developed a number of bespoke algorithms for data pre-processing and data treatment. We also master LC-MS, NMR and GC-MS software such as MestreNova, XCMS, MSDial, Mzmine, Metaboscape, MarkerLynx, Camera, Profiler, GAVIN, AMDIS Metabolynx, ACD Labs, Marker View, AMIX, VNMR etc.

We treat complex LC-MS data to reveal useful spectral associations and promote correct marker identification.