Data quality metrics extracted from 7ek0.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": "acbb5a9f73d9faac07e1cc33705fec0d",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 81.426,
    "b": 149.665,
    "c": 146.433,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.54,2.70],
    "number_observations_unique": 23686,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.232
      },
      {
        "type": "R(meas)",
        "value": 0.2417
      },
      {
        "type": "R(pim)",
        "value": 0.0668
      },
      {
        "type": "I/SigI",
        "value": 16.64
      },
      {
        "type": "Completeness",
        "value": 94.68
      },
      {
        "type": "Redundancy",
        "value": 13.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.8,2.7],
      "number_observations_unique": 1595,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.3411
        },
        {
          "type": "I/SigI",
          "value": 1.84
        },
        {
          "type": "Redundancy",
          "value": 13.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.799
        }
      ]
    }
  ]

}
  

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


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