PeakANOVA: Stronger findings from mass spectral data through multi-peak modeling

The PeakANOVA package implements the PeakANOVA method described in the paper Stronger findings from mass spectral data through multi-peak modeling (to appear). The package is based on the research done in the SMLB group, Helsinki Institute for Information Technology HIIT, Department of Information and Computer Science, Aalto University. The research was done in collaboration with the Inference, Dynamics and Interaction Group, University of Glasgow. When you use this method, please cite the following paper:

Tommi Suvitaival, Simon Rogers, and Samuel Kaski. Stronger findings from mass spectral data through multi-peak modeling. BMC Bioinformatics, to appear.

Contents

• licence (COPYING.txt and COPYING.LESSER.txt)
• documentation (README.txt)
• an example script for running PeakANOVA (peakANOVA-example_script.R)
• PeakANOVA source code (source/)

Installing and running

The software package runs under R, a free language and environment for statistical computing. The package is tested with the R version 3.0.2 in the Linux environment.

Download

The package:
• PeakANOVA package
• Documentation
• Licence: GPL and LGPL
• Publication (pre-print PDF)
• Citation (TBA)

Additional material related to the publication:

• Data (Hilvo et al., 2011) and related documentation
• Modified MZmine 2 with functionality for exporting peak shape correlations and related documentation
• Supplementary material of the publication

Documentation and support

For documentation and examples, see the README.txt file included in the package.

This is experimental software provided as is; we welcome any comments and corrections but cannot give any guarantees about the code. If you have any comments or bug reports, please direct them to Tommi Suvitaival.

Acknowledgement

Funding: The Academy of Finland (Finnish Centre of Excellence in Computational Inference Research COIN, 251170)