Data quality metrics extracted from 8t5r.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": "dba910ff6b44cb8c7ebf76ff1656f50b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.396,
    "b": 52.008,
    "c": 60.918,
    "alpha": 84.97,
    "beta": 75.59,
    "gamma": 76.07
  },
  "wavelengths": [1.18080],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.80,2.12],
    "number_observations_unique": 29014,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.52
      },
      {
        "type": "Completeness",
        "value": 95.5
      },
      {
        "type": "Redundancy",
        "value": 3
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.18,2.12],
      "number_observations_unique": 2149,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.72
        },
        {
          "type": "CC(1/2)",
          "value": 0.28
        }
      ]
    }
  ]

}
  

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


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