Data quality metrics extracted from 8z4h.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": "f6b352a1c2f054baa516777f17213724",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 73.828,
    "b": 86.916,
    "c": 87.993,
    "alpha": 90.00,
    "beta": 91.85,
    "gamma": 90.00
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [73.79,1.79],
    "number_observations_unique": 95039,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0676
      },
      {
        "type": "I/SigI",
        "value": 5.05
      },
      {
        "type": "Completeness",
        "value": 90.86
      },
      {
        "type": "Redundancy",
        "value": 2.77
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.86,1.79],
      "number_observations_unique": 4647,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7698
        }
      ]
    }
  ]

}
  

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


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