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Open Databases for crystallography and other techniques

September 23, 2024
Europe/Paris timezone

Contribution List

6 out of 6 displayed
  1. 1. Crystallography Open Database - how to use it
    Saulius Gražulis (Vilnius University)
    9/23/24, 2:00 PM

    This talk will take an in depth look at COD and how it can be integrated into the scientific workflow at photon and neutron sources. The talk will cover:

    a) The COD founding principles (openness, scientific rigour, FAIRness, availability on-line)
    b) COD history and development;
    c) COD data collection, its scope, data definitions;
    d) COD curation practices;
    e) COD links with other...

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  2. 2. Discussion
    9/23/24, 3:00 PM
  3. 4. Integrated XAFS Databases for Data-Driven Advances in Material Science.
    Takahiro Matsumoto (Japan Synchrotron Radiation Research Institute)
    9/23/24, 4:00 PM

    The advancement of data-driven approaches in materials research emphasizes the critical role of data integration. In the realm of X-ray absorption spectroscopy (XAFS), effective data sharing and integration enhance the reliability of results, revealing intricate atomic-scale structures and electronic states. The MDR XAFS DB project, a collaboration among leading research institutes, leverages...

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  4. 5. Databases supporting X-ray optics simulations
    Manuel Sanchez del Rio (ESRF)
    9/23/24, 4:30 PM

    We summarize here different databases (DABAX, xraylib, DABAM) that have been
    developed to support our activity in X-ray simulations over two decades. DABAX (DAtaBAse for X-ray applications) is a compilation of tables for x-ray applications. DABAX was created to unify the tabulated data for scattering factors, x-ray atomic cross-sections, refraction indices, structure of crystals used for...

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  5. 6. RefXAS: an open access database of X-ray absorption spectra
    Sebastian Paripsa (Uni Wuppertal)
    9/23/24, 4:50 PM

    Under DAPHNE4NFDI, the X-ray absorption spectroscopy (XAS) reference database, RefXAS, has been set up. For this purpose, we developed a method to enable users to submit a raw dataset, with its associated metadata, via a dedicated website for inclusion in the database. Implementation of the database includes an upload of metadata to the scientific catalogue and an upload of files via object...

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  6. 3. Discussion
    9/23/24, 5:30 PM

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