Data quality metrics extracted from 1j8t.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": "b58f46370c8cbfdf44e73ccf3b91c93a",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 66.334,
    "b": 108.419,
    "c": 124.024,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.87300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [10,1.7],
    "number_observations_unique": 48353,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0700000
      },
      {
        "type": "I/SigI",
        "value": 6.4
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 5.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.79,1.7],
      "number_observations_unique": 6776,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3660000
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 97.8
        },
        {
          "type": "Redundancy",
          "value": 4.8
        }
      ]
    }
  ]

}
  

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


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