Data quality metrics extracted from 6r5o.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": "4a96745a0d8eef18c564b3d65e64f254",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 73.505,
    "b": 74.907,
    "c": 82.102,
    "alpha": 65.64,
    "beta": 74.18,
    "gamma": 68.90
  },
  "wavelengths": [0.97915],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.72,2.40],
    "number_observations_unique": 48392,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.07
      },
      {
        "type": "I/SigI",
        "value": 5.9
      },
      {
        "type": "Completeness",
        "value": 84.1
      },
      {
        "type": "Redundancy",
        "value": 2.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.48,2.40],
      "number_observations_unique": 4979,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.33
        }
      ]
    }
  ]

}
  

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


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