Data quality metrics extracted from 7n68.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": "63f7654087e9f361ce33a9f1310ba8c7",
  "space_group_name": "I 4 2 2",
  "unit_cell": {
    "a": 90.33,
    "b": 90.33,
    "c": 132.69,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.01,2.26],
    "number_observations_unique": 12492,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.054
      },
      {
        "type": "R(pim)",
        "value": 0.026
      },
      {
        "type": "I/SigI",
        "value": 12.4
      },
      {
        "type": "Completeness",
        "value": 95.1
      },
      {
        "type": "Redundancy",
        "value": 5.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.33,2.26],
      "number_observations_unique": 1132,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.354
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 96.7
        },
        {
          "type": "Redundancy",
          "value": 5.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.759
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 46.010 2.330
High resolution limit [Å] 2.260 2.260
R(merge) 0.0540 -
R(pim) 0.0260 0.3540
CC(1/2) 0.999 0.759
Completeness [%] 95.1 96.7
Multiplicity 5.2 5.3


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

Resolution [Å] R(pim) CC(1/2) Completeness [%] Multiplicity
2.330-2.260 0.3540 0.759 96.7 5.3