Data quality metrics extracted from 4rea.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": "cbf30c670aa88006ca035e291f2478e4",
  "space_group_name": "P 31",
  "unit_cell": {
    "a": 100.96,
    "b": 100.96,
    "c": 115.71,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.5,3.8],
    "number_observations_unique": 11982,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.207
      },
      {
        "type": "I/SigI",
        "value": 2.6
      },
      {
        "type": "Completeness",
        "value": 97.69
      },
      {
        "type": "Redundancy",
        "value": 1.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.95,3.8],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.1
        },
        {
          "type": "Completeness",
          "value": 85.9
        },
        {
          "type": "Redundancy",
          "value": 1.4
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 50.500 3.950
High resolution limit [Å] 3.800 3.800
R(merge) 0.2070 -
Completeness [%] 97.7 85.9
Multiplicity 1.4 1.4


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

Resolution [Å] Completeness [%] Multiplicity
3.950-3.800 85.9 1.4