Data quality metrics extracted from 4g31.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": "3e7be0bc610ab18deabb18e8f035cc16",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 101.119,
    "b": 101.119,
    "c": 158.831,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97872],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.28],
    "number_observations_unique": 22515,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.060
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 14.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.37,2.28],
      "number_observations_unique": 2455,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.395
        },
        {
          "type": "I/SigI",
          "value": 8.71
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 15.1
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 50.000 2.370
High resolution limit [Å] 2.280 2.280
R(merge) 0.0600 0.3950
Completeness [%] 99.7 100.0
Multiplicity 14.5 15.1


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
2.370-2.280 0.3950 100.0 15.1