Neuweger, Heiko: MeltDB : a software platform for the analysis and integration of metabolomics experiment data. 2009
Inhalt
- List of Figures
- List of Tables
- Motivation and Overview
- Background
- Separation and chromatography
- Mass spectrometry
- Hyphenated mass spectrometry
- Gas chromatography - mass spectrometry (GC-MS)
- Liquid chromatography - mass spectrometry (LC-MS)
- Capillary electrophoresis - mass spectrometry (CE-MS)
- Structure of chromatographic data
- Signal processing and feature detection
- Compound identification
- Data analysis strategies for metabolomics datasets
- State of the art in the analysis of metabolomics data
- Proprietary and vendor specific systems
- Software from the scientific community
- Metabolic pathway repositories and visualization tools
- Evaluation of existing systems
- Requirements and System Design
- System design
- Data model
- Experiment description
- Software as a service
- Project management
- Access control model
- Tool concept
- Statistical analysis
- Data integration
- Implementation and Methods
- Supported input formats
- Raw data visualization
- User interface
- Preprocessing
- Implemented Tools
- Peak detection
- Mass spectral database search
- Retention index computation
- Compound identification
- Support for non-targeted profiling analysis
- Feature based chromatogram alignment (FBCA)
- Importer
- Implemented statistical analysis features
- Mass decomposition for the identification of metabolites
- Manual annotation functionality and user defined References
- Data integration
- Application examples
- Xcc B100 grown on three different carbon sources
- Analysis of human heart and blood plasma samples
- Analysis of a multi-omics fermentation experiment of Corynebacterium glutamicum
- Statistical analysis of cell harvesting methods
- Discussion
- Conclusion and Outlook
- ERT construction & Data model