nPYc 1.2.3

National Phenome Centre toolbox

The nPYc toolbox offers functions for the import, preprocessing, and QC of metabolic profiling datasets.

Documentation can be found on Read the Docs.

Imports

• Peak-picked LC-MS data (XCMS, Progenesis QI, & Metaboscape)

• Raw NMR spectra (Bruker format)

• Targeted datasets (TargetLynx, Bruker BI-LISA, & BI-Quant-Ur)

Provides

• Batch & drift correction for LC-MS datasets

• Feature filtering by RSD & linearity of response

• Calculation of spectral line-width in NMR

• PCA of datasets

• Visualisation of datasets

Exports

• Basic tabular csv

• ISA-TAB

The nPYc toolbox is developed by the informatics team at The National Phenome Centre at Imperial College London.