Data quality metrics extracted from 8uqb.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": "494fe0fb5ed411cd62f3332a167e614f",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 101.948,
    "b": 101.948,
    "c": 86.992,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.484],
    "number_observations_unique": 18662,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1130
      },
      {
        "type": "R(meas)",
        "value": 0.1255
      },
      {
        "type": "R(pim)",
        "value": 0.05322
      },
      {
        "type": "I/SigI",
        "value": 16.39
      },
      {
        "type": "Completeness",
        "value": 99.36
      },
      {
        "type": "Redundancy",
        "value": 5.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.573,2.484],
      "number_observations_unique": 1718,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7775
        },
        {
          "type": "R(meas)",
          "value": 0.8774
        },
        {
          "type": "R(pim)",
          "value": 0.3962
        },
        {
          "type": "I/SigI",
          "value": 2.66
        },
        {
          "type": "Completeness",
          "value": 94.24
        },
        {
          "type": "Redundancy",
          "value": 4.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.731
        }
      ]
    }
  ]

}
  

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


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