Can I get access to structure factor data associated with a structure?

Modified on Thu, 1 Aug, 2024 at 10:58 AM

The CCDC began to accept structure factor data in June 2011, and therefore older CSD entries do not contain structure factor data.

The Access Structures service offers three options (Download Modes) for crystal data that may provide structure factor data if available:

  • The Deposited CIF option will provide the CIF as deposited by the author; this may include embedded structure factor data.
  • The 'Deposited CIF without Structure Factor data' option will explicitly remove any embedded structure factor information - this option as may be useful as it will significantly reduce the size of a download and hence make the download faster.
  • The third option will supply the deposited CIF and any other files included with the deposition that include structure factor data (typically .hkl or .fcf files).

 

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