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MetaSys-LISBP / IsoCor

IsoCor: Isotope Correction for mass spectrometry labeling experiments
https://isocor.readthedocs.io
GNU General Public License v3.0
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Implementation of InChI Isotopologue and Isotopomer #19

Closed pierremillard closed 4 years ago

pierremillard commented 4 years ago

Following the standardization proposal of the "InChI Isotopologue and Isotopomer Development Team", we should implement such format in the context of the European Elixir group "Standardising the fluxomics workflows".

pierremillard commented 4 years ago

Implementation in e57b995bafa63827c07199b61f501e95c83befa0 should be ok. I have open an issue on https://github.com/MSI-Metabolomics-Standards-Initiative/inchi-isotopologue-extension/issues/4#issue-556180514 to make sure this implementation complies with the proposed extended standard.

pierremillard commented 4 years ago

A first implementation released in v2.2.0, as detailed here https://github.com/MSI-Metabolomics-Standards-Initiative/inchi-isotopologue-extension/issues/4#issue-556180514

Might evolve based on the feedback of the community or to comply with implementation in other tools...