Data quality metrics extracted from 2dik.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": "6a81a03d144ea8fc0582529219f9f97d",
  "space_group_name": "P 1 2 1",
  "unit_cell": {
    "a": 89.8,
    "b": 58.8,
    "c": 102.0,
    "alpha": 90.0,
    "beta": 94.8,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [99,2.5],
    "number_observations_unique": 35455,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 9.9000000
      },
      {
        "type": "Completeness",
        "value": 95
      },
      {
        "type": "Redundancy",
        "value": 2.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.66,2.5],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 83
        }
      ]
    }
  ]

}
  

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


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