Data quality metrics extracted from 8hkh.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": "fc44296c72bf489d23c0f53f74540e87",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 59.56,
    "b": 59.63,
    "c": 102.18,
    "alpha": 74.98,
    "beta": 89.90,
    "gamma": 73.15
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.19,2.55],
    "number_observations_unique": 39460,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 4.49
      },
      {
        "type": "Completeness",
        "value": 93.4
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.976
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.62,2.55],
      "number_observations_unique": 2962,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.17
        },
        {
          "type": "Completeness",
          "value": 94.2
        },
        {
          "type": "Redundancy",
          "value": 3.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.452
        }
      ]
    }
  ]

}
  

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


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