MetaboQC

Version: 1.0

Website

http://evolution.haifa.ac.il/index.php/component/k2/item/146

Description

MetaboQC provides a post-peaking QC procedure. The user must first run the peak picking software of their choice, under random parameters for 50-200 iterations. Each peak picking output (PP-output) then must be normalised inside each replicate group. The inter replicate correlation (AvCorr) and z-correlation (Zcorr) is then estimated across replicate groups. The PP-output with the best Zcorr and high enough AvCorr is then selected. There is also discrimination between replicate groups with high Zcorr and AvCorr and those with low to find parameters that provide high Zcorr and Avcorr. The peak picking software should then be run with these parameters. MetaboQC can then be used to detect local discrepancies between pairs of replicates and removing sample outliers. The output of MetaboQC then provides the parameter conditions with the least defects. The user can then manually remove features that are enriched in low score replicates

Functionality

• Other Tools/Software Optimisation

Instrument Data Type

• MS/LC-MS

Approaches

• Untargeted

Computer Skills

Advanced

Software Type

Package

Interface

Command line interface

Operating System (OS)

Windows (32 bit)

Language

C++

Dependencies

N/A

Input Formats - Open

mzData, mzML, mzXML, netCDF

Input Formats - Proprietary

N/A

Published

2010

Last Updated

2013

License

Paper

http://www.ncbi.nlm.nih.gov/pubmed/20977194

PMID

20977194