Data quality metrics extracted from 5ket.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": "cddb493cabbfba1d12a0b09c10778054",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 131.141,
    "b": 131.141,
    "c": 290.657,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.46000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.740,2.850],
    "number_observations": 195360,
    "number_observations_unique": 22740,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.290
      },
      {
        "type": "R(meas)",
        "value": 0.309
      },
      {
        "type": "R(pim)",
        "value": 0.105
      },
      {
        "type": "I/SigI",
        "value": 8.600
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 8.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.000,2.850],
      "number_observations": 24398,
      "number_observations_unique": 3259,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.648
        },
        {
          "type": "R(meas)",
          "value": 1.772
        },
        {
          "type": "R(pim)",
          "value": 0.643
        },
        {
          "type": "I/SigI",
          "value": 1.500
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.536
        }
      ]
    },
    {
      "resolution_limits": [44.740,9.010],
      "number_observations": 6127,
      "number_observations_unique": 769,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "R(pim)",
          "value": 0.017
        },
        {
          "type": "I/SigI",
          "value": 33.000
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 8.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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