Data quality metrics extracted from 6a4e.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": "41b8eab9a31b6db52664226cd47c9e7f",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 59.667,
    "b": 59.667,
    "c": 236.201,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.45],
    "number_observations_unique": 18200,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 76.1
      },
      {
        "type": "Completeness",
        "value": 96.2
      },
      {
        "type": "Redundancy",
        "value": 21.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.49,2.45],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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