Fcf file crystallography

  • How do I get a CIF file?

    A CIF or Crystallographic Information File is the standard format for storing crystallographic structural data.
    CIF information has a specific structure or format that needs to be followed to allow crystallographic programs to read the file..

  • How to create CIF file for structure refinement?

    Structure factors are created from experimental crystallographic data during the structural solution process.
    This information can be used to describe the distribution of electron density in the structure..

  • What is a structure factor file?

    CIF files for many compounds can be downloaded from the American Mineralogist Crystal Structure Database (AMSD), or from the Crystallography Open Database (COD), for instance.
    A file in the CIF format may contain the positions of atoms, as well as the symmetry group that the compound belongs to..

  • What is a structure factor file?

    Structure factors are created from experimental crystallographic data during the structural solution process.
    This information can be used to describe the distribution of electron density in the structure..

  • What is CIF file extension?

    A CIF or Crystallographic Information File is the standard format for storing crystallographic structural data.
    CIF information has a specific structure or format that needs to be followed to allow crystallographic programs to read the file..

  • What is structure factor file?

    Structure factors are created from experimental crystallographic data during the structural solution process.
    This information can be used to describe the distribution of electron density in the structure..

fcf file is usually output when the crystal structure is refined by the respective software. The . hkl file should be the file generated by the diffractometer during integration, which has subsequently undergone absorption correction, e.g. with STOE X-SHAPE, Habitus or the Laue Analyser (LANA).
They can also be appended to the CIF file, as it is the default in many crystallographic programs. The .fcf file is used when producing checkCIF reports about 

What happens if a final name FCF file is recalculated with SHELXL?

In the case where a final name fcf is recreated with SHELXL from the embedded name hkl and name res files and recalculated, the final R and S values are compared with those reported in the CIF for consistency Otherwise the final name fcf file should be archived as well

What is a FCF file in crystallography?

This information is often appended to the CIF itself, as it is the default setting of most crystallography programs

The fcf file contains the structure factors, which are a combination of the intensity values from the hkl file and the information calculated from the structural model

This file can be recreated using the

hkl and res file
This information is often appended to the CIF itself, as it is the default setting of most crystallography programs. The.fcf file contains the structure factors, which are a combination of the intensity values from the.hkl file and the information calculated from the structural model. This file can be recreated using the.hkl and.res file.

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