MS details

The schedule is available at https://www.conftool.com/iucr2020/

Exemplary practice in chemical, biological and materials database archiving

Comments

Crystallographic databases have a long and distinguished history. The Cambridge Structural Database (CSD) has been in operation for more than 50 years and is reaching its millionth published crystal structure entry. The Protein Data Bank was founded in 1971 and has around 150,000 entries, mainly derived from X-ray crystallography but also from NMR, cryoEM and neutron crystallography and integrative methods. The validation of entries is a major effort, and one that could act as an exemplar for other scientific fields. The science educational use of the entries is absolutely gargantuan. The impact on science and medicine based industries is huge. The microsymposium will explore best practice in archiving and the development of tools for optimal dissemination of the data curated by the database organisations. The modern challenge for databases also includes handling of results from scattering, diffraction, spectroscopies and microscopies, once again from the full spectrum of samples such as crystals, powders, fibres, nanostructured and amorphous materials or solutions. Also in recognition of the growing interest and indeed importance given to raw data, both the CSD and PDB now invite the author/depositor to include DOIs registered for raw diffraction data images and associated metadata.

Chair persons

Name

Family

Institution

City

Country

Region

 

Invited speakers

Name

Family

Institution

City

Country

Title

Stacy

Gates-Rector

International Centre for Diffraction Data

Newtown Square

USA

The Full Plate: Benefits of simulated and raw data digital patterns in the Powder Diffraction FileTM

Annett

Steudel

FIZ Karlsruhe - Leibniz-Institut für Informationsinfrastruktur

Karlsruhe

Germany

Behind the scenes - data processing and quality assurance for the ICSD

Ian

Bruno

CCDC

Cambridge

UK

CSD One Million: Reasons why the crystallographic community is exemplary