Data quality metrics extracted from 5n4t.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": "3c45c697afcb3463d816b265ccae4030",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 105.903,
    "b": 80.148,
    "c": 79.085,
    "alpha": 90.00,
    "beta": 139.49,
    "gamma": 90.00
  },
  "wavelengths": [0.92819],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.29,1.16],
    "number_observations_unique": 147820,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "R(pim)",
        "value": 0.03
      },
      {
        "type": "I/SigI",
        "value": 10.3
      },
      {
        "type": "Completeness",
        "value": 99.96
      },
      {
        "type": "Redundancy",
        "value": 10.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.18,1.16],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 10.25
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 6.51
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 56.290 1.180
High resolution limit [Å] 1.160 1.160
R(merge) 0.0730 0.0730
R(pim) 0.0300 -
CC(1/2) 0.998 0.998
Completeness [%] 100.0 100.0
Multiplicity 10.6 6.5


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

Resolution [Å] R(merge) CC(1/2) Completeness [%] Multiplicity
1.180-1.160 0.0730 0.998 100.0 6.5