Data quality metrics extracted from 6dn4.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": "129b93a1f69a653c6476606aec702e81",
  "space_group_name": "I 4",
  "unit_cell": {
    "a": 84.580,
    "b": 84.580,
    "c": 74.982,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.71073],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.29,1.99],
    "number_observations_unique": 18134,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.138
      },
      {
        "type": "R(pim)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 12.0
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 7.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.0436,1.990],
      "number_observations_unique": 18134,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.69
        }
      ]
    }
  ]

}
  

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


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