eMZed

Version: 2.29.4.0

Website

http://emzed.ethz.ch/index.html

Description

This provides a library of modules that can be incorporated together as a workflow. The MetaboFeatureFinder (OpenMS) and matched filter and centWave (XCMS) peak picking algorithms can be used for feature detection (eMZed builds a bridge to R). EICs can be visualised. Once peaks are detected they can be integrated using the EMG integrator. Retention time alignment is then performed using Pose Clustering alignment algorithm (OpenMS). Isotope patterns are identified and compounds are identified from PubChem. Two datasets can be compared using one-way ANOVA or Kruskal Wallis statistical tests.

Functionality

• Workflow

Instrument Data Type

• MS/LC-MS

Approaches

• Untargeted

Computer Skills

Advanced

Software Type

Framework

Interface

Command line interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

Python

Dependencies

Python 2.7, numpy, scipy, matplotlib, PyQT4, virtualenv, cython

Input Formats - Open

mzData, mzML, mzXML

Input Formats - Proprietary

N/A

Published

2013

Last Updated

2017

License

GPL-2

Paper

http://www.ncbi.nlm.nih.gov/pubmed/23418185

PMID

23418185