Data quality metrics extracted from 8d5l.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": "9a40d79eb5778258d7283d2a25e110ea",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 25.606,
    "b": 50.271,
    "c": 79.845,
    "alpha": 94.28,
    "beta": 91.53,
    "gamma": 90.13
  },
  "wavelengths": [0.97648],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.06,1.64],
    "number_observations_unique": 46505,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.3
      },
      {
        "type": "Completeness",
        "value": 95.87
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.702,1.64],
      "number_observations_unique": 10593,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.877
        }
      ]
    }
  ]

}
  

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


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