Data quality metrics extracted from 8e18.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": "5f86a4d1d416fdb0c9f5c90e403e525d",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 86.006,
    "b": 86.006,
    "c": 132.392,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.0,1.13],
    "number_observations_unique": 172050,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 56.6
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 9.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.15,1.13],
      "number_observations_unique": 9157,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.723
        }
      ]
    }
  ]

}
  

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


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