Data quality metrics extracted from 4o4u.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "7b56d1e7b3bb24fba3110e00649d8409",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 81.03,
    "b": 135.70,
    "c": 103.96,
    "alpha": 90.00,
    "beta": 100.05,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.393,2.64],
    "number_observations_unique": 64684,
    "quality_factors": [

    ]
  }
}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):