Data quality metrics extracted from 476d.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": "8b711e2b36f869e4dbf1c5622b251b26",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 38.764,
    "b": 38.764,
    "c": 99.084,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.10012],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.0,1.29],
    "number_observations_unique": 13911,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0890000
      },
      {
        "type": "I/SigI",
        "value": 28.9
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 3.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.34,1.29],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3090000
        },
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "Redundancy",
          "value": 3.40
        }
      ]
    }
  ]

}
  

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


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