MetShot

Version: 0.3.2

Website

https://github.com/sneumann/MetShot

Description

MetShot provides nearline data-dependent acquisition (DDA) LC-MS/MS processing strategies. With its pipeline, it is designed for the optimum collection of LC-MS/MS data. Firstly LC-MS raw data must be gathered and analysed (preprocessing with XCMS and CAMERA) to identify features of interest. These features of interest can then be analysed with DDA LC-MS/MS. It generates target peak lists for MS/MS analysis from single LC-MS runs (for Bruker micrOTOF-Q, Agilent QTOF and Waters QTOF). Once LC-MS/MS data has been collected, peaks are identified using the centWave algorithm and grouped using CAMERA algorithms.

Functionality

• Other Tools/Experimental Optimisation

Instrument Data Type

• MS/LC-MS/LC-MS/MS

Approaches

• Targeted

Computer Skills

Advanced

Software Type

R Package

Interface

Command line interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

R

Dependencies

CAMERA, xcms, XML, class, Biobase

Input Formats - Open

mzData, mzML, mzXML, netCDF

Input Formats - Proprietary

N/A

Published

2012

Last Updated

2016

License

GPL (≥ 2)

Paper

http://link.springer.com/article/10.1007%2Fs11306-012-0401-0

PMID