Data quality metrics extracted from 9urk.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "f900364b222f75fe49a704aef711672e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 109.615,
    "b": 68.047,
    "c": 95.161,
    "alpha": 90.000,
    "beta": 96.746,
    "gamma": 90.000
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.02,2.2],
    "number_observations_unique": 32761,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.892
      },
      {
        "type": "I/SigI",
        "value": 9.72
      },
      {
        "type": "Completeness",
        "value": 92.2
      },
      {
        "type": "Redundancy",
        "value": 4.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.279,2.2],
      "number_observations_unique": 3327,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9195
        },
        {
          "type": "CC(1/2)",
          "value": 0.625
        }
      ]
    }
  ]

}
  

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


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