metsamp

- Deprecated

Website

http://www.dcs.gla.ac.uk/inference/metsamp/

Description

This software assigns empirical formulas to peaks using probabilistic modelling, using MCMC and Gibbs sampling. Empirical formulas can be gathered from databases or they can be based on all the possible atomic combinations for a given mass (using the 'golden rules'). The code from this software is not available - website says: Matlab implementation and example scripts will be available soon.

Functionality

• Annotation/MS/Level 4 - Unequivocal Molecular Formula

Instrument Data Type

• MS/LC-MS

Approaches

Computer Skills

Advanced

Software Type

• Package

Interface

• Command line interface

Operating System (OS)

• Unix/Linux
• Mac OS
• Windows

Language

MATLAB

Dependencies

N/A

Input Formats - Open

Input Formats - Proprietary

Published

2009

Last Updated

2009

License

Paper

http://www.ncbi.nlm.nih.gov/pubmed/19095699

PMID

19095699