Data quality metrics extracted from 9nkn.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "9f6f9064d7efc16a660f1348f50e4fb1",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 43.655,
    "b": 73.392,
    "c": 39.572,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97980],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.57,1.95],
    "number_observations_unique": 9697,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0646
      },
      {
        "type": "R(meas)",
        "value": 0.0699
      },
      {
        "type": "R(pim)",
        "value": 0.0263
      },
      {
        "type": "I/SigI",
        "value": 14.33
      },
      {
        "type": "Completeness",
        "value": 99.56
      },
      {
        "type": "Redundancy",
        "value": 7.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,1.95],
      "number_observations_unique": 1351,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.845
        },
        {
          "type": "R(meas)",
          "value": 0.908
        },
        {
          "type": "R(pim)",
          "value": 0.3261
        },
        {
          "type": "I/SigI",
          "value": 2.32
        },
        {
          "type": "Completeness",
          "value": 99.56
        },
        {
          "type": "Redundancy",
          "value": 7.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.903
        }
      ]
    }
  ]

}
  

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


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