Data quality metrics extracted from 9ink.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": "dfdeaf4ae79d556d7c00c2884942bd06",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 55.39,
    "b": 75.51,
    "c": 224.22,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.88,2.70],
    "number_observations": 89039,
    "number_observations_unique": 13341,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.411
      },
      {
        "type": "R(meas)",
        "value": 0.446
      },
      {
        "type": "R(pim)",
        "value": 0.171
      },
      {
        "type": "I/SigI",
        "value": 4.4
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.981
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.83,2.70],
      "number_observations": 11717,
      "number_observations_unique": 1729,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.850
        },
        {
          "type": "R(meas)",
          "value": 3.089
        },
        {
          "type": "R(pim)",
          "value": 1.178
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Redundancy",
          "value": 6.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.310
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 28.880 2.830
High resolution limit [Å] 2.700 2.700
R(merge) 0.4110 2.8500
R(meas) 0.4460 3.0890
R(pim) 0.1710 1.1780
CC(1/2) 0.981 0.310
Completeness [%] 99.6 -
Multiplicity 6.7 6.8


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Multiplicity
2.830-2.700 2.8500 3.0890 1.1780 0.310 6.8