Data quality metrics extracted from 7rkl.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": "be8464a812b58372ffc08156b4f127d2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 45.676,
    "b": 62.031,
    "c": 106.975,
    "alpha": 82.941,
    "beta": 81.924,
    "gamma": 68.522
  },
  "wavelengths": [1.03000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.08],
    "number_observations_unique": 59068,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.177
      },
      {
        "type": "R(pim)",
        "value": 0.092
      },
      {
        "type": "I/SigI",
        "value": 8.5
      },
      {
        "type": "Completeness",
        "value": 91
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.975
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.15,2.08],
      "number_observations_unique": 5457,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 84
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.583
        }
      ]
    }
  ]

}
  

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


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