Data quality metrics extracted from 8h4j.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": "d4bb287e94bc3efe190a68dc35ca3048",
  "space_group_name": "F 2 2 2",
  "unit_cell": {
    "a": 143.04,
    "b": 160.11,
    "c": 335.62,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.00],
    "number_observations_unique": 128804,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06781
      },
      {
        "type": "R(pim)",
        "value": 0.01936
      },
      {
        "type": "I/SigI",
        "value": 24.27
      },
      {
        "type": "Completeness",
        "value": 99.93
      },
      {
        "type": "Redundancy",
        "value": 13.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.00],
      "number_observations_unique": 12789,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7897
        },
        {
          "type": "R(pim)",
          "value": 0.2215
        },
        {
          "type": "I/SigI",
          "value": 4.30
        },
        {
          "type": "Completeness",
          "value": 99.98
        },
        {
          "type": "Redundancy",
          "value": 13.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.895
        }
      ]
    }
  ]

}
  

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


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