Data quality metrics extracted from 1kyc.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": "a63e03992fa8e2e463bf23dac79a97db",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 33.386,
    "b": 33.386,
    "c": 65.691,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,1.450],
    "number_observations_unique": 2574,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.5400000
      },
      {
        "type": "I/SigI",
        "value": 20.0
      },
      {
        "type": "Completeness",
        "value": 96.2
      },
      {
        "type": "Redundancy",
        "value": 10
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.5,1.45],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1310000
        },
        {
          "type": "I/SigI",
          "value": 7.0
        },
        {
          "type": "Completeness",
          "value": 72.1
        },
        {
          "type": "Redundancy",
          "value": 2.3
        }
      ]
    }
  ]

}
  

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


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