Data quality metrics extracted from 5n4j.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": "63b8e18053b629ec1f137736a1c51bef",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 69.91,
    "b": 79.83,
    "c": 82.58,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97979],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.190,1.503],
    "number_observations_unique": 73404,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05052
      },
      {
        "type": "R(meas)",
        "value": 0.059
      },
      {
        "type": "R(pim)",
        "value": 0.03079
      },
      {
        "type": "I/SigI",
        "value": 14.88
      },
      {
        "type": "Completeness",
        "value": 99
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.59,1.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.13
        },
        {
          "type": "R(meas)",
          "value": 1.16
        },
        {
          "type": "I/SigI",
          "value": 1.35
        },
        {
          "type": "Completeness",
          "value": 97.7
        },
        {
          "type": "Redundancy",
          "value": 6.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.521
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 32.190 1.590
High resolution limit [Å] 1.503 1.500
R(merge) 0.0505 1.1300
R(meas) 0.0590 1.1600
R(pim) 0.0308 -
CC(1/2) 0.999 0.521
Completeness [%] 99.0 97.7
Multiplicity 3.6 6.3


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
1.590-1.500 1.1300 1.1600 0.521 97.7 6.3