NAME

       cif2hkl - cif2hkl

SYNOPSIS

       cif2hkl [options][-o outfile] file1 file2 ...

DESCRIPTION

       Action: Read a CIF/CFL/SHX/PCR crystallographic description

              and generates a HKL F^2 reflection list.

       Input:

       file1...
              Input file in CIF, PCR, CFL, SHX, INS, RES format.

       The file format is determined from its extension
              .CIF           Crystallographic Information File .PCR/.CFL      FullProf file .SHX/.INS/.RES ShelX
              file

       Output:

              a file with readable header, and reflection list with columns

              [ H K L Multiplicity Sin(Theta/Lambda) d_spacing |F|^2 ]

       Options:

       --help, -h
              Show this help

       --version, -v
              Display program version

       --out FILE, -o FILE
              Specify the name of the next output file.  Default is to add .hkl to the initial file name.

       --lambda LAMBDA, -l LAMBDA
              Set the incoming probe wavelength [Angs].  Default is 0.5

       --powder, -p
              Generate a list of unique HKL reflections (for powders). Default.

       --xtal, -x
              Generate a list of all HKL reflections (for single crystals).

       --mode MODE, -m MODE
              Generate  structure  factors  for  given  probe,  where  MODE  is  NUC=neutron(default)  XRA=xrays
              ELE=electrons

       --verbose
              Display processing details.

       --no-output-files
              Just read the CIF/CFL/ShelX file (for checking).

       Example: ./cif2hkl --powder --mode NUC -o CaF2.laz CaF2.cfl

cif2hkl 1.4.7                                       May 2025                                          CIF2HKL(1)