Data quality metrics extracted from 7ykn.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": "2901d17caa63880e309129e017b05480",
  "space_group_name": "P 64 2 2",
  "unit_cell": {
    "a": 200.751,
    "b": 200.751,
    "c": 77.023,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.62,2.50],
    "number_observations_unique": 32043,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 1.382
      },
      {
        "type": "R(meas)",
        "value": 1.394
      },
      {
        "type": "R(pim)",
        "value": 0.1776
      },
      {
        "type": "I/SigI",
        "value": 5.61
      },
      {
        "type": "Completeness",
        "value": 99.60
      },
      {
        "type": "Redundancy",
        "value": 60.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.955
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.58,2.5],
      "number_observations_unique": 3130,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.765
        },
        {
          "type": "R(meas)",
          "value": 3.796
        },
        {
          "type": "R(pim)",
          "value": 0.4855
        },
        {
          "type": "I/SigI",
          "value": 1.70
        },
        {
          "type": "Completeness",
          "value": 99.97
        },
        {
          "type": "CC(1/2)",
          "value": 0.546
        }
      ]
    }
  ]

}
  

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


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