Faster, Better Data Deposition Processes Launched

23rd June 2014, Cambridge, UK

The Cambridge Crystallographic Data Centre (CCDC) is excited to announce the launch of its next generation Data Deposition services. The new system has been created to make it easy and fast for chemists to deposit their structural data at the CCDC. These changes ensure that high quality, comprehensive structural data is made more readily available to the scientific community, directly from our website and through the Cambridge Structural Database (CSD).

The new deposition process can now be activated from the CCDC home page:

www.ccdc.cam.ac.uk 

where users will also find easier, free access to downloading individual structure files and browsing the teaching subset of the CSD. To access the new deposition form directly, users can now go to www.ccdc.cam.ac.uk/deposit

The new CSD web-based data deposition facility makes the whole process faster, easier and more intuitive for depositors. The service incorporates the CCDC’s enCIFer syntax checking and editing functionality, to enable straightforward review and correction of deposited CIFs. This will make the process more efficient for depositors, and also ensures the integrity of the data stored at the CCDC for the world’s community of structural chemists.

The CCDC recognises the importance of structure factors in ensuring the quality of crystallographic data. The inclusion of these has therefore been made a prominent part of the new deposition process, following the direction set by the International Union of Crystallography (IUCr).

The new service includes many new features which benefit depositing crystallographers. The new process:

  • Allows rapid CCDC number allocation 
  • Enables the upload of multiple structures in a single process
  • Alerts the user if structure factors have not been deposited and makes it easy to add them
  • Shows syntax errors and warnings and allows depositors to make corrections during the deposition process
  • Displays a 3D representation of the structure
  • Makes it easier to move between structures and  add extra information
  • Extracts the publication details from the CIF which can then be checked and confirmed
  • Allows the user to move forwards and back at each step

Peter Strickland, Managing Editor at the IUCr, confirmed "Depositors will be delighted to discover how quick and easy it is to deposit their data with the CCDC now that the new, interactive, web-based data deposition facility has been launched. The IUCr is particularly pleased that the new process highlights the importance of including structure factors in the deposition process which should help to ensure the quality of the reported science."

Dr Simon Coles, Director of the UK’s EPSRC National Crystallography Service stated "As frequent depositors to the CCDC, we are pleased to see the launch of this new deposition process. It provides an easy way to deposit multiple structures quickly, which is really important these days. It also allows CIFs to be corrected during the process which means you don’t have to go back to the start if you find something wrong. It is now easier than ever to deposit structures with the CCDC, which will help ensure that even more data are made available to the scientific community.”

The new deposition form is the latest development of an ongoing process to maximise accessibility of crystallographic data from the CCDC. As depositors start to realise the benefits of this new service we anticipate all routine depositions switching to this method. The CCDC will further enhance and improve this platform with additional features in the coming months.

For more details, contact Suzanna Ward, Head of the Database Group at the CCDC: ward@ccdc.cam.ac.uk