Metab

Metab automates processing and statistical analysis of GC-MS metabolomics data produced by the Automated Mass Spectral Deconvolution and Identification System (AMDIS).

Key Features:

• R package: Provides routines implemented in R for processing AMDIS output.
• Automated preprocessing: Automates data correction, filtering, and reshaping for AMDIS-processed GC-MS datasets.
• Statistical testing: Performs statistical hypothesis testing using t-tests and analysis of variance (ANOVA).
• AMDIS integration: Integrates the AMDIS library and a reference ion library for use with processed data.
• Technical variability reduction: Reduces technical variability associated with manual correction and filtering.

Scientific Applications:

• GC-MS metabolomics preprocessing: Prepares AMDIS-processed GC-MS datasets for downstream analysis.
• Differential metabolite analysis: Identifies significant differences in metabolomic profiles across experimental conditions using t-tests and ANOVA.
• Data mining support: Streamlines generation of analysis-ready metabolomics datasets to support further data mining.

Methodology:

Automates correction, filtering, and reshaping of AMDIS-processed GC-MS data, integrates the AMDIS library and a reference ion library, and applies t-tests and ANOVA for statistical analysis.