Data quality metrics extracted from 8rs1.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": "2b31454513c94f7c213a38b8c8c00e4d",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 42.15,
    "b": 42.15,
    "c": 234.20,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [78.07,1.63],
    "number_observations_unique": 31624,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 5.34
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 212.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.971
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.68,1.63],
      "number_observations_unique": 2675,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.95
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.551
        }
      ]
    }
  ]

}
  

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


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