Data quality metrics extracted from 8w3c.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": "089a04f8ed88425e13ba4cfa74ad7e3c",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 56.431,
    "b": 56.431,
    "c": 170.482,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.12,1.97],
    "number_observations_unique": 22963,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.023
      },
      {
        "type": "I/SigI",
        "value": 11.4
      },
      {
        "type": "Completeness",
        "value": 99.29
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.04,1.97],
      "number_observations_unique": 2280,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.310
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 2.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.956
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 32.120 2.040
High resolution limit [Å] 1.970 1.970
R(merge) 0.0230 0.3100
CC(1/2) 1.000 0.956
Completeness [%] 99.3 99.9
Multiplicity 2.0 2.0


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

Resolution [Å] R(merge) CC(1/2) Completeness [%] Multiplicity
2.040-1.970 0.3100 0.956 99.9 2.0