Data quality metrics extracted from 1k9j.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": "c9a113d6aa509d73ddbe40fae499fb82",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 50.226,
    "b": 57.039,
    "c": 89.263,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.9],
    "number_observations_unique": 19033,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "Completeness",
        "value": 92
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.9],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "Completeness",
          "value": 83.5
        }
      ]
    }
  ]

}
  

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


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