Data quality metrics extracted from 7ke2.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": "a2d8e698f4ebf947a6a0f153b166347b",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 78.446,
    "b": 94.063,
    "c": 97.203,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.18,2.59],
    "number_observations_unique": 22965,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.042
      },
      {
        "type": "I/SigI",
        "value": 11.6
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 6.58
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.680,2.59],
      "number_observations_unique": 2131,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.431
        },
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    }
  ]

}
  

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


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