Data quality metrics extracted from 8r9u.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": "423c70a424b1c09ee14ba9c1119e1c45",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 40.303,
    "b": 127.711,
    "c": 142.684,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99980],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.34,1.93],
    "number_observations_unique": 28311,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.202
      },
      {
        "type": "I/SigI",
        "value": 7.28
      },
      {
        "type": "Completeness",
        "value": 83.8
      },
      {
        "type": "Redundancy",
        "value": 5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.21,1.94],
      "number_observations_unique": 1413,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.946
        },
        {
          "type": "I/SigI",
          "value": 1.8
        }
      ]
    }
  ]

}
  

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


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