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