![]() ![]() However, some items may not be included in the CIF as they are not relevant to a particular experiment or may be missed by the program (if they are included in log files created by other programs that were not kept in the final refinement folder or if the refinement package being used does not check them when compiling the final CIF). Many crystallographic programs include most information automatically when the CIF is mad e. The material that is included within a CIF varies and depends on what information the authors of the structure incorporated, as well as the technique and program used. , R Factor ) as well as any details of the diffraction experiment (such as temperature, pressure, experimental wavelength and the type and name of equipment used) and any data processing undertaken (such as the programs used to process the data). ![]() What kind of information can I find in the CIF?Ī CIF contains information about the crys tal structure ( such as unit cell values, atom names and their coordinates and any structural model quality indicators, e.g.
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