Data quality metrics extracted from 4xnr.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": "e53db866bd4fe32545cb78aa2da90e30",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 49.482,
    "b": 154.682,
    "c": 25.178,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.5,2.21],
    "number_observations_unique": 10358,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 16.92
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 6.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.29,2.21],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.04
        },
        {
          "type": "I/SigI",
          "value": 1.67
        },
        {
          "type": "Completeness",
          "value": 99
        },
        {
          "type": "Redundancy",
          "value": 6.7
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 49.500 2.290
High resolution limit [Å] 2.210 2.210
R(merge) 0.0610 1.0400
Completeness [%] 100.0 99.0
Multiplicity 6.6 6.7


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
2.290-2.210 1.0400 99.0 6.7