Data quality metrics extracted from 8u4a.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": "aafff8b57f6fd3660e47a6040421aa4c",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 133.114,
    "b": 67.178,
    "c": 100.838,
    "alpha": 90.0,
    "beta": 125.0,
    "gamma": 90.0
  },
  "wavelengths": [1.45867],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.97],
    "number_observations_unique": 48767,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0716
      },
      {
        "type": "R(meas)",
        "value": 0.0803
      },
      {
        "type": "R(pim)",
        "value": 0.0352
      },
      {
        "type": "I/SigI",
        "value": 16.75
      },
      {
        "type": "Completeness",
        "value": 94.25
      },
      {
        "type": "Redundancy",
        "value": 4.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [5.87,1.97],
      "number_observations_unique": 48605,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.80
        },
        {
          "type": "I/SigI",
          "value": 16.82
        },
        {
          "type": "Completeness",
          "value": 93.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.99
        }
      ]
    }
  ]

}
  

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


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