A docker image definition for the mzml2isa python tool
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README.md

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mzml2isa

Version: 0.4.28

Short Description

A container image definition for the mzml2isa python tool

Description

mzml2isa is a Python3 program that can automatically generate ISA-Tab document structure metadata files from raw XML metabolomics data files (mzML open access data format). The mzml2ISA tool provides the backbone of ISA-Tab metabolomics study which can then be edited with an ISA editing tool, ISAcreator.

Key features

  • Extract meta information from mzML files and stores it as either python dictionary or JSON format
  • Creates an ISA-Tab file structure with relevant meta information filled in.
  • Add additional metadata that cannot be parsed from mzML files to the ISA-Tab files through a JSON formatted dictionnary.

Functionality

  • Other Tools

Approaches

Instrument Data Types

Tool Authors

  • Martin Larralde

Container Contributors

Website

Git Repository

Installation

For local individual installation:

docker pull docker-registry.phenomenal-h2020.eu/phnmnl/mzml2isa

Usage Instructions

For direct docker usage:

docker run docker-registry.phenomenal-h2020.eu/phnmnl/mzml2isa ...

Publications

  • Rocca-Serra, P., Brandizi, M., Maguire, E., Sklyar, N., Taylor, C., Begley, K., ... & Neumann, S. (2010). ISA software suite: supporting standards-compliant experimental annotation and enabling curation at the community level. Bioinformatics, 26(18), 2354-2356.