Data quality metrics extracted from 8t8r.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": "1463b61f5cdd9e6fb2dbdf45d1de8e59",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 161.945,
    "b": 78.618,
    "c": 111.200,
    "alpha": 90.0,
    "beta": 126.8,
    "gamma": 90.0
  },
  "wavelengths": [0.99993],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [89.040,2.870],
    "number_observations_unique": 25644,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.034
      },
      {
        "type": "I/SigI",
        "value": 19.36
      },
      {
        "type": "Completeness",
        "value": 98.900
      },
      {
        "type": "Redundancy",
        "value": 3.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.12,2.870],
      "number_observations_unique": 5633,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.43
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 3.700
        }
      ]
    }
  ]

}
  

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


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