CCPN Metabolomics

Version: 1.3

Website

http://www.ccpn.ac.uk/collaborations/metabolomics

Description

This is a metabolomics add on to the CcpNmr software. It contains fulled assigned 1D and 2D spectra of 76 of metabolites (those that are most commonly found in biofluids). It also contains predicted 1H-1H TOCSY spectra, that are not available on public repositories. It allows for the creation of custom, user defined libraries of spectra.

Functionality

• Annotation/NMR

Instrument Data Type

• NMR/1D NMR
• NMR/2D NMR

Approaches

Computer Skills

Advanced

Software Type

Package

Interface

Command line interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

Python

Dependencies

numpy, Tcl/Tk, Tix, Mesa

Input Formats - Open

NMRPipe

Input Formats - Proprietary

Bruker, Varian

Published

2011

Last Updated

2011

License

Paper

https://www.ncbi.nlm.nih.gov/pubmed/21216771

PMID

21216771