Data quality metrics extracted from 4o4r.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": "dfd29f3c9c2e5e0fcac3b7a0aabbc63d",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 119.71,
    "b": 197.43,
    "c": 109.57,
    "alpha": 90.00,
    "beta": 114.06,
    "gamma": 90.00
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [59.4,2.4],
    "number_observations_unique": 90345,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.53,2.4],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    }
  ]

}
  

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


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