Data quality metrics extracted from 4xqr.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": "2603b0f8234ab1da3e44d1f68a9a9610",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 110.85,
    "b": 110.85,
    "c": 78.08,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.42,2.15],
    "number_observations_unique": 26862,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.082
      },
      {
        "type": "I/SigI",
        "value": 13.9
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 9.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.21,2.15],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.991
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 98.9
        },
        {
          "type": "Redundancy",
          "value": 2.5
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 55.420 2.210
High resolution limit [Å] 2.150 2.150
R(merge) 0.0820 0.9910
Completeness [%] 99.7 98.9
Multiplicity 9.7 2.5


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
2.210-2.150 0.9910 98.9 2.5