SHELXL fcf2hkl

A SHELXL 'HKLF 4' style file is generated from a number of CIF styled FCF reflection file formats.

This tool might be useful in combination with the cif2res conversion function (i.e. the SHELXL-res PLATON menu option) for data extracted from the IUCR-ACTA CRYST supplemetary material server in view of local evaluation studies.

The following 'FCF' style datafiles should be recognised

  1. - SHELXL/OLEX2

  2. - JANA

  3. - CRYSTALS

  4. - TEXSAN

  5. - MOLEN
Note:

Invoke PLATON for compound name with platon name.cif. The associated reflection file should be available either as name.fcf or name.hkl (where name.hkl obviously deviates from the 'HKLF 4' format style). The PLATON opening menu will indicate whether both files are recognised.

The data names for the compound in both the cif and fcf should be identical.

The new 'HKLF 4' file will be on name_sx.hkl.

MISCELLANEOUS TOOLS PLATON HOMEPAGE

04-Apr-2021 A.L.Spek