Data quality metrics extracted from 1d8w.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": "8c7f3ea61117a52d13e8cd681efaba71",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 169.849,
    "b": 163.104,
    "c": 78.150,
    "alpha": 90.00,
    "beta": 110.32,
    "gamma": 90.00
  },
  "wavelengths": [1.08000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.0,1.6],
    "number_observations_unique": 426996,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0410000
      },
      {
        "type": "I/SigI",
        "value": 12.4
      },
      {
        "type": "Completeness",
        "value": 96.7
      },
      {
        "type": "Redundancy",
        "value": 1.68
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.66,1.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3300000
        },
        {
          "type": "Completeness",
          "value": 84.4
        },
        {
          "type": "Redundancy",
          "value": 2
        }
      ]
    }
  ]

}
  

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


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