MSClust

Version: 1

Website

http://www.wageningenur.nl/nl/Expertises-Dienstverlening/Onderzoeksinstituten/rikilt/show/MetAlign.htm

Description

Software designed to reduce mass signal redundancy of untargeted metabolomics data using mass signal correction analysis. First the number of clusters is determined in an unsupervised manner using the potential density method, then subtractive fuzzy clustering is used to cluster peaks around the centre (centrotype). Features are clustered based on similarity of chromatography (retention time) and similarity of ion fragment patterns. A list of peaks is then generated.

Functionality

• Other Tools

Instrument Data Type

• MS/GC-MS
• MS/LC-MS

Approaches

Computer Skills

Advanced

Software Type

Package

Interface

Command line interface

Operating System (OS)

Windows

Language

C++

Dependencies

N/A

Input Formats - Open

.txt peak list (no zero values)

Input Formats - Proprietary

N/A

Published

2011

Last Updated

2012

License

Paper

http://www.ncbi.nlm.nih.gov/pubmed/22833709

PMID

22833709