Data quality metrics extracted from 1n4r.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": "537da8d529b58b6b3835f3b476c3e128",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 272.068,
    "b": 268.801,
    "c": 185.310,
    "alpha": 90.00,
    "beta": 131.55,
    "gamma": 90.00
  },
  "wavelengths": [1.00008],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.86,2.8],
    "number_observations_unique": 242134,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 13
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 3.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.9,2.8],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.432
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 98.0
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 29.860 2.900
High resolution limit [Å] 2.800 2.800
R(merge) 0.0740 0.4320
Completeness [%] 99.4 98.0
Multiplicity 3.3 -


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

Resolution [Å] R(merge) Completeness [%]
2.900-2.800 0.4320 98.0