BATMAN

Version: 1.2.1.11

Website

http://batman.r-forge.r-project.org/

Description

Bayesian automated metabolite analyser for NMR spectra (BATMAN) provides a bayesian model for deconvolution of NMR spectra and an MCMC algorithm to automate metabolite quantification. It is also able to automatically identify metabolites based on user defined metabolite chemical shift lists. A two component model is used for peak deconvolution: for some peaks a metabolite identification can be explicitly defined using an online database (HMDB) and for others the unassigned spectrum is modelled semiparametrically, using wavelets. As well as the R package, there is also the tool splineFitBATMAN, which allows the user to sort the spectra and estimate chemical shifts for each resonance.

Functionality

• Annotation/NMR

Instrument Data Type

• NMR/1H NMR

Approaches

Computer Skills

Advanced

Software Type

Package

Interface

Command line interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

R, C++, MATLAB

Dependencies

R ≥ 2.15.0,doSNOW, foreach, iterators, snow, utils, plotrix

Input Formats - Open

ASCII, R

Input Formats - Proprietary

Bruker

Published

2011

Last Updated

2018

License

GPL-2

Paper

http://www.ncbi.nlm.nih.gov/pubmed/22635605

PMID

22635605