Data quality metrics extracted from 7ekn.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": "9886bfa7d6bd3ec3e6e1649560d29135",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 42.626,
    "b": 46.389,
    "c": 49.170,
    "alpha": 76.669,
    "beta": 67.700,
    "gamma": 74.673
  },
  "wavelengths": [0.97880],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.14],
    "number_observations_unique": 17862,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.129
      },
      {
        "type": "R(meas)",
        "value": 0.182
      },
      {
        "type": "R(pim)",
        "value": 0.129
      },
      {
        "type": "I/SigI",
        "value": 10.2
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.31,2.14],
      "number_observations_unique": 30000,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.648
        }
      ]
    }
  ]

}
  

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


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