In our design, we have focused on enhancing the FAIR attributes of the data. Here we describe the requirements we identified for a metadata-driven repository, an instance of which is deployed by the Imperial College HPC Service at These principles may in turn assist researchers wishing to deposit data in identifying the repository attributes that can best expose the discoverability and re-use of their data. Here we report the principles used to create such a repository and some of the applications in chemistry that have resulted. The next stage therefore was to explore whether what we considered the essential requirements for a data repository could be incorporated into a new design. As a result of the experiences gained from this project, we became aware that one limiting factor to the effective use of metadata was the repository design itself. The metadata can then be exploited to create rich search queries. One feature of the curation phase of the project aimed to explore the capabilities of the DataCite metadata schemas to improve the discoverability of the deposited data. An early example of such research data management is illustrated by a DSpace-based project to produce and then 10 years later to curate a library of quantum-mechanically-optimised molecular coordinates derived from a computable subset of the National Cancer Institutes (NCI) collection of small molecules. Metadata describing the deposited material is supplied to DataCite and a DOI is returned. Such services rely on the minting of persistent identifiers or DOIs for the depositions using the DataCite agency. More recent data-centric tools such as Figshare and Zenodo reflect these changes. The recent increasing requirement for research data management emerging from funding agencies means that the focus is now shifting to the use of repositories as part of the data management processes. If you look at the red and blue protons are both attached to this carbon and if we see this double bond here with these different groups attached to this double bond and since there's no rotation around the double bond the red and the blue protons are locked in two different environments therefore they are not chemically equivalent and since those protons are not equivalent they can couple together and since this is occurring on the same carbon we call this geminal coupling so geminal coupling here so geminal referring to the fact that both protons are in the same carbon and coupling can occur so those protons are close enough where they can affect each other so let's think about first the NMR spectrum with no coupling so we would expect one signal for the blue proton and one signal for the red proton so here's the spectrum with no coupling but we know that the red protons magnetic moment can align either with the external magnetic field or against the external magnetic field and that causes the signal for the blue proton to be split into two so if I go down here so we actually see a doublet for the signal for the blue or the blue proton same thing for the blue proton the magnetic moment can be aligned either with the external magnetic field or against it and that splits the signal for the red proton into a doublet so two peaks for two Peaks for the signal for the red proton I went to much more detail about this in the spin-spin splitting spin-spin coupling video in this video we're more concerned with the idea of the coupling constant and the coupling constant refers to the distance between the peaks of a signal so if we think about the distance between the two peaks of this signal that is the coupling constant and the coupling constant is the same for both of these signals because these protons are splitting each other they are coupled together the coupling constant is measured in hertz so it turns out to be 1.4 or Hertz and if it's 1.4 Hertz for this one it must be 1.Turnkey institutional repositories based on platforms such as DSpace were introduced more 10 years ago, with the early applications directed largely towards archival of publication preprints and postprints.
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