CIF2SHELXL

MISCELLANEOUS TOOLS

PLATON HOMEPAGE

This tool produces a name_sx.ins and a name_sx.hkl file, ready for (re)-refinement with SHELXL, based on the data in the supplied name.cif and name.fcf files. CIF's created with SHELXL2012 or later already include RES and HKL (and optionally FAB) data embedded in the CIF file and are copied out as name_sx.ins and name_sx.hkl (and optionally name_sx.fab). Otherwise, a name_sx.ins is constructed from the data in the name.cif file and a name_sx.hkl file from the (averaged) I(obs) data in the name.fcf file.

The equivalent keyboard instruction is CIF2SHELXL.

The command line equivalent filter operation: platon -H name.cif.