Working with hkl

hkl files suitable for refinement with SHELX contain structure factors. They cannot be mixed up with HKL files from XDS.

Example:

python3 -m translocation -o new_file.hkl --hkl original_file.hkl --k1 0.09 --fc1 0.4 0.3 0.0 --k2 0.13 --fc2 ...

The new_file.hkl contains corrected structure factors only. Please, archive the original_file.hkl!