Data quality metrics extracted from 4z3e.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": "99879c2e03a8fa9a781426e4b0de8b32",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 48.21,
    "b": 52.22,
    "c": 76.32,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00004],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.1,1.8],
    "number_observations_unique": 17523,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 19.3
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 8.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.91,1.8],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.68
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 12.8
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 43.100 1.910
High resolution limit [Å] 1.800 1.800
R(merge) 0.0810 0.6800
Completeness [%] 99.9 99.5
Multiplicity 8.5 12.8


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
1.910-1.800 0.6800 99.5 12.8