Data quality metrics extracted from 23ei.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "d0e87c1f32cd985637ca4019c57e6e50",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.98,
    "b": 63.68,
    "c": 72.43,
    "alpha": 89.875,
    "beta": 89.861,
    "gamma": 66.610
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.87,2.24],
    "number_observations_unique": 39097,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 7.99
      },
      {
        "type": "Completeness",
        "value": 95.35
      },
      {
        "type": "Redundancy",
        "value": 3.45
      },
      {
        "type": "CC(1/2)",
        "value": 0.982
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.32,2.24],
      "number_observations_unique": 3466,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.807
        }
      ]
    }
  ]

}
  

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


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