Data quality metrics extracted from 7kel.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": "ba6f688746dca47c50952bfb3cde0987",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 82.88,
    "b": 201.44,
    "c": 113.66,
    "alpha": 90.00,
    "beta": 108.45,
    "gamma": 90.00
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.583,2.10],
    "number_observations_unique": 204501,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.79
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 15
      },
      {
        "type": "CC(1/2)",
        "value": 0.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.175,2.10],
      "number_observations_unique": 20464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.686
        },
        {
          "type": "Completeness",
          "value": 99.87
        }
      ]
    }
  ]

}
  

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


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