MeltDB

Version: 2.0

Website

https://meltdb.cebitec.uni-bielefeld.de/cgi-bin/login.cgi

Description

This is a web application for metabolomics, providing functions for preprocessing, statistical analysis and deriving biological information from metabolomics data. It provides ontology based metabolomic experiment annotation. It provides analysis for both targeted and untargeted experiments. Peaks that have already been detected in other software can be imported, including those from vendor software. There is no enforced, set pipeline for analysis. Instead the user can choose the tools they wish to use. Peak picking can be performed using matchedFilter, centWave, MetaB or MassSpecWavelet. Retention indices can be calculated. Sum formula identification has also been implemented for annotation. The GMD or NIST are used for metabolite identification, using the dot product algorithm. For chromatographic alignment xcms, ChromA or a feature based alignment algorithm can be used. Statistical analysis available includes: Student's t-test, Kruskal-Wallis test, ANOVA, HCA, PCA, ICA, PLS-DA, Metabolite Correlation Analysis, Volcano plots, heatmaps, SVM and random forest. Bonferroni, Holm and Benjamini and Hochberg corrections can be calculated. Data can also be visualised in plots: TIC, EIC, MS/MS, alignment and spectral view.

Functionality

• Preprocessing

Instrument Data Type

• MS/LC-MS
• MS/GC-MS/GC-MS/MS

Approaches

Computer Skills

Basic

Software Type

Web App

Interface

Web user interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

Perl, Java, Javascript, MySQL, R

Dependencies

N/A

Input Formats - Open

AMDIS.elu, mzData, mzXML, netCDF

Input Formats - Proprietary

Reports: Thermo Xcalibur (XLS), LECO ChromaTOF, MassHunter (Text), ChemStation peak list (Text)

Published

2008

Last Updated

2013

License

Paper

http://www.ncbi.nlm.nih.gov/pubmed/23918246

PMID

23918246