Data quality metrics extracted from 8a3u.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": "45c33c896271648e4a2785a615a6f6a3",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 138.716,
    "b": 138.716,
    "c": 49.346,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97916],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.65,2.33],
    "number_observations_unique": 13863,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.117
      },
      {
        "type": "R(meas)",
        "value": 0.120
      },
      {
        "type": "R(pim)",
        "value": 0.027
      },
      {
        "type": "I/SigI",
        "value": 19.8
      },
      {
        "type": "Completeness",
        "value": 58.6
      },
      {
        "type": "Redundancy",
        "value": 20.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.51,2.33],
      "number_observations_unique": 693,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.26
        },
        {
          "type": "R(pim)",
          "value": 0.549
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 14.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.48
        }
      ]
    }
  ]

}
  

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


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