QCScreen

Version: 1.3

Website

https://sourceforge.net/projects/qcscreen/

Description

This tool allows for the quality assessment of HRLC-MS data. It provides visualisation of the stability and precision of the chromatographic separation step and the mass accuracy and m/z value over time. Based on sample names QCScreen automatically assigns them to categories e.g. blank, QC, matrix QC or biological sample. Target species must be user specified, either within the GUI or as a tab separated list. Theoretical m/z and rt values are compared to measured values to obtain the deviation. Results are coloured from green to red to mark whether a parameter is within the expected values or not. The relative isotopologue abundance of 13C:12C can be calculated and plotted. The results of QCScreen can be used as input parameters of other software e.g. XCMS. The raw, unprocessed data in .mzXML format can be used for analysis.

Functionality

• Other Tools/Quality Assessment

Instrument Data Type

• MS/LC-MS/Centroid LCHR-MS

Approaches

Computer Skills

Medium

Software Type

Package

Interface

Graphical User Interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

Python, R

Dependencies

R (≥ 2.12.0), waveslim, signal, ptw, MassSpecWavelet

Input Formats - Open

Peaklist .csv, .mzXML

Input Formats - Proprietary

N/A

Published

2015

Last Updated

2017

License

GPL-2

Paper

http://www.ncbi.nlm.nih.gov/pubmed/26498454

PMID

26498454