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isa-extractor's Introduction

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workflow

Our project

The Workflow4Metabolomics, W4M in short, is a French infrastructure offering software tool processing, analyzing and annotating metabolomics data. It is based on the Galaxy platform.

In the context of collaboration between metabolomics (MetaboHUB French infrastructure) and bioinformatics platforms (IFB: Institut Français de Bioinformatique), we have developed full LC/MS, GC/MS and NMR pipelines using Galaxy framework for data analysis including preprocessing, normalization, quality control, statistical analysis and annotation steps. Those modular and extensible workflows are composed with existing components (XCMS and CAMERA packages, etc.) but also a whole suite of complementary homemade tools. This implementation is accessible through a web interface, which guarantees the parameters completeness. The advanced features of Galaxy have made possible the integration of components from different sources and of different types. Thus, an extensible Virtual Research Environment (VRE) is offered to metabolomics communities (platforms, end users, etc.), and enables preconfigured workflows sharing for new users, but also experts in the field.

Citation

Giacomoni F., Le Corguillé G., Monsoor M., Landi M., Pericard P., Pétéra M., Duperier C., Tremblay-Franco M., Martin J.-F., Jacob D., Goulitquer S., Thévenot E.A. and Caron C. (2014). Workflow4Metabolomics: A collaborative research infrastructure for computational metabolomics. Bioinformatics, http://dx.doi.org/10.1093/bioinformatics/btu813

Galaxy

Galaxy is an open, web-based platform for data intensive biomedical research. Whether on the free public server or your own instance, you can perform, reproduce, and share complete analyses.

Homepage: https://galaxyproject.org/

workflow

How to contribute

Get our tools

All our tools are publicly available in GitHub and freely installable through the Galaxy ToolShed

However, we will be glad to have [good] feedbacks on their usage in order to motivate us (and our funders).

It will also be great if you can cite our papers:

Franck Giacomoni, Gildas Le Corguillé, Misharl Monsoor, Marion Landi, Pierre Pericard, Mélanie Pétéra, Christophe Duperier, Marie Tremblay-Franco, Jean-François Martin, Daniel Jacob, Sophie Goulitquer, Etienne A. Thévenot and Christophe Caron (2014). Workflow4Metabolomics: A collaborative research infrastructure for computational metabolomics. Bioinformatics

doi:10.1093/bioinformatics/btu813

Push your tools / W4M as a Showcase

Your tools can be installed, integrated and hosted within the main W4M instance Tools.

Quality standards

However, the tools must stick to the IUC standards in order to be easily integrated:

In the first place, your tools will be displayed in the Contribution section of the tool panel. And eventually, it should be promoted among the other tools.

Advanced mode

In order to be fully integrated in our reference workflows, your tools must follow your exchange formats between tools (for more information, contact us).

A collaboration should be established if help is needed!

Support / HelpDesk

In all cases, the tools must be maintained by the developers themselves. A tool can be removed if this after sales service isn't done.

Guidelines

isa-extractor's People

Contributors

pkrog avatar sneumann avatar

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Forkers

sneumann

isa-extractor's Issues

Integration into W4M server

  • Use planemo lint on all tools.
  • Write a test for isa2mzdata.
  • Write a test for isa2mzml.
  • Write a test for isa2mzxml.
  • Write a test for isa2netcdf.
  • Write a test for isa2nmrml.
  • Publish onto test toolshed.
  • Install and test on test instance.
  • Publish onto main toolshed.
  • Install and test on main instance.

Extract files per assay

For a multi-assay file, the extractor collects too many files. It would be great
if in the tool you can select an assay (just like in the ISA to W4M converter)
and, for maximum flexibility, the column with file names (e.g. Raw Spectral Data File or Derived Spectral Data File) and output that as a collection. Difficulty will be the File type.
Yours, Steffen

isa2mzML empty collection for study MTBLS719

Hi @pkrog ,

maybe not an isa2mzML issue, but just in case.

As you know I'm trying to reproduce MTBLS719 study in W4M. I'm able to get the isa-tab and that all.
Now, I am trying d to get the mzML files with isa2mzML tool, but I get an empty dataset....Maybe it's linked to "incorrect" files in the Metabolights repository or to the structure of that repo.
In fact, mzML files are in a DERIVED_FILES sub-folder see picture
image

I'm only interested by the a_MTBLS719_LC-MS_positive_reverse-phase_metabolite_profiling.txt related files, is there an option to download only these files?

Many thanks fro your time

Move this tool into tools-metabolomics

Explore the possibility of moving this tool into tools-metabolomics

  • Make a bioconda package for the script.
  • Move XML and test-data into tools-metabolomics.

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