Data quality metrics extracted from 6ker.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": "309a5b948dfe7a29a3cc99293821273e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 58.371,
    "b": 74.834,
    "c": 107.423,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.34,1.838],
    "number_observations_unique": 41679,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.113
      },
      {
        "type": "R(meas)",
        "value": 0.117
      },
      {
        "type": "R(pim)",
        "value": 0.0317
      },
      {
        "type": "I/SigI",
        "value": 15.24
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 13.5
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.904,1.838],
      "number_observations_unique": 4083,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.124
        },
        {
          "type": "R(meas)",
          "value": 1.166
        },
        {
          "type": "R(pim)",
          "value": 0.309
        },
        {
          "type": "I/SigI",
          "value": 2.12
        },
        {
          "type": "Completeness",
          "value": 99.51
        },
        {
          "type": "Redundancy",
          "value": 13.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.787
        }
      ]
    }
  ]

}
  

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


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