Raw Diffraction Images and (Quantum-)Crystallographic Models of WYLID using MoKa Radiation

This dataset contains the raw diffraction images, as well as structural models for a publication in J. Apl. Cryst. using Cu Kb radiation.

The raw data can be found in the "images" folder, the structural models in the "struct" folder.

The type of model is indicated by the prefix of the model:

• IAM: Independent Atom Model
• HAR: Hirshfeld Atom Refinement
• MM: Multipolar Model
• XRD: X-ray Restrained Wavefunction Fitting