FOCUS - RASpicer/MetabolomicsTools GitHub Wiki
FOCUS
Version: 1.1
Website
Description
FOCUS provides a complete workflow of analysis for NMR data, consisting of spectral segmentation, spectral alignment, peak detection and metabolite identification. Firstly the raw spectra are automatically divided into equally sized overlapping segments. Recursive unreferenced alignment of spectra (RUNAS) is then used to align the spectra (this technique does not require a reference spectra). A consensus peak (CPS) is then computed, calculating the frequency of samples having a peak region at the given point. A peak reduction method is then used to remove redundant peaks caused due to using overlapping segments. Metabolites can then be identified using user generated databases. It was found that RUNAS is a better alignment algorithm than icoshift.
Functionality
- Workflow
Instrument Data Type
- NMR/1H NMR
Approaches
Computer Skills
Advanced
Software Type
- Package
Interface
- Command line interface
Operating System (OS)
- Unix/Linux
- Mac OS
- Windows
Language
MATLAB, Javascript, Python
Dependencies
N/A
Input Formats - Open
Input Formats - Proprietary
Published
2014
Last Updated
2014
License
Paper
http://www.ncbi.nlm.nih.gov/pubmed/24354303
PMID
24354303