Data quality metrics extracted from 8hwi.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": "9e50f6b424a1a7a7a4e32cc566a2079f",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 67.987,
    "b": 72.489,
    "c": 231.066,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.00,2.72],
    "number_observations_unique": 30140,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.099
      },
      {
        "type": "I/SigI",
        "value": 23.3
      },
      {
        "type": "Completeness",
        "value": 96.5
      },
      {
        "type": "Redundancy",
        "value": 10.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.82,2.72],
      "number_observations_unique": 2870,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.526
        },
        {
          "type": "Redundancy",
          "value": 8.3
        }
      ]
    }
  ]

}
  

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


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