PaNOSC @IUCr workshop “When should small molecule crystallographers publish raw diffraction data?”

On 11-12 August, 2021, the IUCr – International Union of Crystallography is organising the workshop on “When should small molecule crystallographers publish raw diffraction data?“.

During the 2nd day of the event, from 15:20 to 15:45 CEST, PaNOSC contributor, Teodor Ivănoaica (ELI-DC) will give a talk about Data Policy at Large Research Infrastructure. Data Retention challenge.

Organised under the auspices of CommDatAs, and as a follow-on to the IUCr 2019 survey of the community regarding data management practices and availability of raw data in Small Molecule crystallography, the consultation workshop is aimed at:

  1. Educating those who generate and deal in crystallographic data on best practices in data management;
  2. Understanding how to communicate those best practices to students and other novice users;
  3. Discussing current practices in data archival and accessibility;
  4. Exploring current and future use cases for archival and availability of raw data.

The workshop will be beneficial to a large number of small-molecule crystallographers and data scientists. It is expected attendees to gain an appreciation of the importance of archiving raw data and an understanding of how to archive their own raw data effectively. 

The event intends to lay the groundwork for a large-scale community driven effort to standardize small molecule raw data archival with a view to ensuring that best practice in the laboratory leads to appropriate and FAIR availability of raw data to the wider community. A key goal is to explore how to make this process seamless and integrated with current facility, research and publishing practices.

Findings of the above-mentioned IUCr survey will imminently be published in the IUCr Newsletter.