2isa suite

The 2isa suite is a collection of programs that can extract metadata out of various metabolomics file formats and write them to ISA-Tab files, creating the backbone for an ISA-Tab study that can then be shared on databases such as MetaboLights. Right now the following source files are supported:

.mzML

XML-like files containing derived spectral data of mass spectrometry scans

.imzML

XML-like files containing metadata about imaging mass spectrometry scans

.nmrML

XML-like files containing derived spectral data of nuclear magnetic resonance scans

Documentation

Command Line Applications / Libraries

The command line applications / libraries are currently divided into the mzml2isa package (covering mzML and imzML) and nmrml2isa (covering nmrML).

• mzml2isa
  • Installation
  • Usage
  • Examples
  • Frequently Asked Questions
  • Extracted Terms List
  • API reference
• nmrml2isa
  • Installation
  • Usage
  • Examples
  • Frequently Asked Questions
  • Extracted Terms List
  • API reference

Graphical User Interfaces

The graphical user interfaces are divided into mzmlisa-qt (covering mzML), imzml2isa-qt (covering imzML) and nmrml2isa-qt (covering nmrML).

• mzml2isa-qt
  • Installation
  • Usage
• imzml2isa-qt
  • Installation
  • Usage
• nmrml2isa-qt
  • Installation
  • Usage

Galaxy interfaces

The Galaxy interfaces are divided into mzml2isa-galaxy (covering mzML and imzML) and nmrml2isa-galaxy (covering nmrML)

• mzml2isa-galaxy
  • Installation
  • Usage
• nmrml2isa-galaxy
  • Installation
  • Usage

Other

• Other
  • ISAcreator
  • JSON metadata

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