nPYc Toolbox

GitHub source | Documentation | Licence

A Python implementation of the NPC toolchain for the import, quality-control, and preprocessing of metabolic profiling datasets.

Requirements:

- Python3.6

SampleDB

GitHub source | Licence

Web app for storing sample location data for HTA and GDPR compliance.

Requirements:

- Linux
- Python3.6
- SQLite3/PostgreSQL/MySQL,
- Nginx/Apache
- uWSGI/Gunicorn
- Redis

PeakPantheR

GitHub source | Documentation | Licence

peakPantheR (_Peak Picking and ANnoTation of High resolution Experiments in R_) is a R and Shiny package for the parallel detection, integration and reporting of pre-defined features in high number of MS files

Requirements:
- R (>= 3.4.0)

SPUTNIK

GitHub source | Documentation | Licence

SPUTNIK (_SPatially aUTomatic deNoising for Ims toolKit_) A set of tools for the peak filtering of mass spectrometry imaging data (MSI or IMS) based on spatial distribution of signal.

Requirements:
- R (>= 3.4.0)

IMPaCTS toolbox

GitHub source | Documentation | Licence

The Imperial Metabolic Profiling and Chemometrics Toolbox for Spectroscopy.

A general purpose toolbox for NMR and peak-picked MS spectra that covers data import, export, preprocessing and basic metabolomic analysis.

Requirements:
     - Matlab >2016a, Stats Toolbox.