Data quality metrics extracted from 8r26.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": "f51e5393c4ee210aeffaf0485e388422",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 45.488,
    "b": 71.464,
    "c": 85.795,
    "alpha": 85.61,
    "beta": 80.43,
    "gamma": 78.65
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.9,2.3],
    "number_observations_unique": 41704,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.96
      },
      {
        "type": "Completeness",
        "value": 89.79
      },
      {
        "type": "Redundancy",
        "value": 2.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.38,2.30],
      "number_observations_unique": 4250,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.94
        },
        {
          "type": "Completeness",
          "value": 91.20
        },
        {
          "type": "CC(1/2)",
          "value": 0.774
        }
      ]
    }
  ]

}
  

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


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