Data quality metrics extracted from 1kic.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": "49b9be1a09e90384c51ad84cd525e43a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.35,
    "b": 74.62,
    "c": 73.02,
    "alpha": 90.00,
    "beta": 98.31,
    "gamma": 90.00
  },
  "wavelengths": [0.93260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.6],
    "number_observations_unique": 76141,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0400000
      },
      {
        "type": "I/SigI",
        "value": 28.4
      },
      {
        "type": "Completeness",
        "value": 92.64
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.69,1.60],
      "number_observations_unique": 11058,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1900000
        },
        {
          "type": "I/SigI",
          "value": 6.1
        },
        {
          "type": "Completeness",
          "value": 64.32
        }
      ]
    }
  ]

}
  

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


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