Data quality metrics extracted from 8w4d.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": "945fbcf7619547da7f082cb63f1dd0c3",
  "space_group_name": "I 4 3 2",
  "unit_cell": {
    "a": 160.49,
    "b": 160.49,
    "c": 160.49,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97853],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.893,2.098],
    "number_observations": 354050,
    "number_observations_unique": 20092,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.157
      },
      {
        "type": "R(meas)",
        "value": 0.162
      },
      {
        "type": "R(pim)",
        "value": 0.038
      },
      {
        "type": "I/SigI",
        "value": 15.1
      },
      {
        "type": "Completeness",
        "value": 95.9
      },
      {
        "type": "Redundancy",
        "value": 17.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.161,2.098],
      "number_observations": 19174,
      "number_observations_unique": 1007,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.525
        },
        {
          "type": "R(meas)",
          "value": 2.595
        },
        {
          "type": "R(pim)",
          "value": 0.593
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Redundancy",
          "value": 19.0
        }
      ]
    }
  ]

}
  

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


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