Data quality metrics extracted from 8a4e.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": "df0908ce6575c069203d1c6b3ec89ab9",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 41.555,
    "b": 41.555,
    "c": 132.850,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.66,1.96],
    "number_observations_unique": 7757,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.082
      },
      {
        "type": "I/SigI",
        "value": 5.7
      },
      {
        "type": "Completeness",
        "value": 91.9
      },
      {
        "type": "Redundancy",
        "value": 8.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.98
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.08,1.96],
      "number_observations_unique": 3612,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.564
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.67
        }
      ]
    }
  ]

}
  

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


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