Metfrag-Vis

Version: 0.5

Short Description

Visualize MetFrag results.

Description

This tool uses MetFrag generated result CSV files and its parameter files to generate a summary PDF file which contains a specified number of top candidates retrieved from each result file. The output PDF includes also compound images and a URL to the MetFragWeb tool with the used parameters for each query. This enables the rerun of the specified MetFrag query.

Functionality

• Post-processing

Approaches

• Metabolomics

Instrument Data Types

• LC-MS/MS

Tool Authors

• Christoph Ruttkies (IPB-Halle)

Container Contributors

• Christoph Ruttkies (IPB-Halle)

Git Repository

• https://github.com/c-ruttkies/MetFragRelaunched

Installation

docker build -t metfrag-vis .

Alternatively, pull from repo:

docker pull container-registry.phenomenal-h2020.eu/phnmnl/metfrag-vis

Usage Instructions

On a PhenoMeNal Cloud Research Environment Galaxy environment, go to MS tool category or type metfrag-vis in the search tools text field, and then click on metfrag-vis and select the inputs for MetFrag result and parameter files generated in a previous step, then press run.