Data quality metrics extracted from 6r5r.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": "d4ebd2b4b91d5efda269d4da7a7ac8a9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 71.002,
    "b": 73.580,
    "c": 81.362,
    "alpha": 65.60,
    "beta": 73.67,
    "gamma": 69.70
  },
  "wavelengths": [0.97926],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.37,1.65],
    "number_observations_unique": 160758,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 10.8
      },
      {
        "type": "Completeness",
        "value": 96.3
      },
      {
        "type": "Redundancy",
        "value": 3.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.68,1.65],
      "number_observations_unique": 7738,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.39
        }
      ]
    }
  ]

}
  

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


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