00.
Overview of workflow
What is it?
Stages of the workflow
Assumptions
Experimental Structure
Workflow diagram
Demo data
01.
Metabolite Extraction
Metabolite extraction
02.
Data acquisition
Data Acquisition
03.
Converting data to open format
Proteowizard
MSConvert MALDI
MSConvert DIMS
MSConvert LCMS
Samples & treatments
04.
Data pre-processing
Aims of Pre-processing
Processing MALDI data
Processing DIMS
Processing LCMS
05.
Extracting and formatting peak table and metadata
What's a peak table?
Metadata
Peak table MassUp
Peak Table LCMS
06.
Multivariate analysis
Multivariate analysis
Metaboanalyst
R for Multivariate analysis
07.
Putative metabolite ID
What are my metabolites?
METLIN
KEGG
08.
Data archiving and reporting
Sharing metabolomics data
MetaboLights
Citing the tools
More
GitHub repo
Workflow Diagram
Credits
CC-BY Licence
Clear History
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Untargeted Metabolomics Workflow
> Putative metabolite ID
Putative metabolite identification