Data quality metrics extracted from 6hik.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": "2db15ab9523f6ff7c47c083ac808190d",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 58.843,
    "b": 58.843,
    "c": 159.101,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99981],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.950,1.650],
    "number_observations": 449159,
    "number_observations_unique": 34599,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "R(meas)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 21.000
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 13.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.690,1.650],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.010
        },
        {
          "type": "R(meas)",
          "value": 1.050
        },
        {
          "type": "R(pim)",
          "value": 0.880
        },
        {
          "type": "I/SigI",
          "value": 2.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.500
        }
      ]
    }
  ]

}
  

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


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