Data quality metrics extracted from 7jk1.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": "785298f74320ae9c8aca26e75e7ce7e7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.558,
    "b": 65.732,
    "c": 75.179,
    "alpha": 69.66,
    "beta": 82.83,
    "gamma": 88.54
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [69.95,2.62],
    "number_observations_unique": 27758,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.112
      },
      {
        "type": "I/SigI",
        "value": 6.1
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 2.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.74,2.62],
      "number_observations_unique": 3360,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.189
        },
        {
          "type": "Completeness",
          "value": 98.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.375
        }
      ]
    }
  ]

}
  

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


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