​​The Cambridge Crystallographic Data Centre (CCDC).
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Can I deposit large CIFs that include reflection data?

Solution

Yes, the CCDC is able to accept all CIF files. Some CIF files contain additional information that results in very large files sizes (for example CIFs generated using SHELXL-2013 include embedded .hkl and .res data). Our internal system that we use to create the CSD, CSD-Xpedite, has been designed to deal with these large depositions.
 
CIF files up to 50MB in size can be deposited directly with the CCDC via our online deposition service which is available at www.ccdc.cam.ac.uk/deposit. If the CIF you wish to upload exceeds 50MB then:
 
  • If there are multiple structures and data_ values please split these up into individual files so there is one structure per file
  • Compress (zip up) the file prior to upload

If your file is still larger than 50MB please deposit your data by following the instructions below:

  • Click on the following link to open in a web browser: https://fileshare.ccdc.cam.ac.uk:5001/sharing/KBbkaNaOA
  • Drag and drop files onto the folder icon or click "Choose files" and select the file you would like to upload.
  • Enter your name & email address if prompted. 
  • Click upload.
  • Please also send an email to deposit@ccdc.cam.ac.uk to let us know your details and the name of the file you have added otherwise we will be unable to email you your deposition numbers.