Data quality metrics extracted from 9k71.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": "442ba3993b5619d9be74ed3b556d6263",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 53.421,
    "b": 84.652,
    "c": 163.376,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.33,2.28],
    "number_observations_unique": 34049,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.160
      },
      {
        "type": "I/SigI",
        "value": 10.7
      },
      {
        "type": "Completeness",
        "value": 98.3
      },
      {
        "type": "Redundancy",
        "value": 11.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.40,2.28],
      "number_observations_unique": 4764,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.904
        }
      ]
    }
  ]

}
  

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


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