Data quality metrics extracted from 1rki.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": "edd866f85ee476d8d3803b994221d076",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 105.483,
    "b": 43.717,
    "c": 52.717,
    "alpha": 90.00,
    "beta": 113.24,
    "gamma": 90.00
  },
  "wavelengths": [1.54180,1.12710],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [90.0,1.6],
    "number_observations_unique": 28068,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.125
      },
      {
        "type": "Completeness",
        "value": 96.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.66,1.60],
      "number_observations_unique": 2174,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.495
        },
        {
          "type": "Completeness",
          "value": 75.0
        }
      ]
    }
  ]

}
  

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


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