MathDAMP

Version: 1.0.0

Website

http://mathdamp.iab.keio.ac.jp/

Description

Mathematica package for differential analysis of metabolite profiles (MathDAMP) provides functions for preprocessing and normalisation. Firstly raw datasets are binned via m/z and baselines may be subtracted (first order polynomial is default). Noise is removed by set all signal intensities within a given threshold to zero. Sample datasets are then normalised to a reference dataset pairwise, by retention time of a representative set of peaks using dynamic time warping. Outliers may be detected by calculating z-scores or quartile analysis. One-way ANOVA by be used to find differences between groups of replicated datasets. Density plots are used for visualisation.

Functionality

• Preprocessing
• Post-processing

Instrument Data Type

• MS/CE-MS
• MS/GC-MS

Approaches

• Metabolomics/Untargeted

Computer Skills

Advanced

Software Type

• Package

Interface

• Command line interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

Mathematica

Dependencies

Mathematica ≥ 4.2

Input Formats - Open

mzXML, netCDF

Input Formats - Proprietary

ChemStation .ms, Analyst .csv

Published

2006

Last Updated

2007

License

Paper

http://www.ncbi.nlm.nih.gov/pubmed/17166258

PMID

17166258