Simplifying spectroscopic supplementary data collection

ABSTRACT
One of the interesting initiatives discussed during the IUPAC General Assembly a few weeks ago in Sao Paulo was the renewed push for more efficient and simpler ways of submitting supplementary spectroscopic data. IUPAC Division 3 were particularly keen on enabling better NMR supplementary data submission. It emerged that there have been some interesting efforts made to radically simplify such submission. Mestrelab Research have developed a solution called Mpublish which has been tested and deployed at Imperial College London, aimed at lowering the barriers to the submission of supplementary full spectroscopic data. Along the lines of the EuroSpec project, the submission system also handles the most complicated data needing submission—multi-dimensional nuclear magnetic resonance spectra. Henry Rzepa’s blog discusses the background and submission process and provides a link to his guide to setting up and uploading files to the Imperial College HPC Data Repository as well as to the “FAIR” principles… (findable, accessible, inter-operable and re-usable).

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