Data quality metrics extracted from 6krn.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": "666e2b8f64447fb82d7e9abed249ff25",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 63.251,
    "b": 78.700,
    "c": 118.418,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.41,1.653],
    "number_observations_unique": 71087,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04648
      },
      {
        "type": "R(meas)",
        "value": 0.05262
      },
      {
        "type": "R(pim)",
        "value": 0.02424
      },
      {
        "type": "I/SigI",
        "value": 15.35
      },
      {
        "type": "Completeness",
        "value": 99.41
      },
      {
        "type": "Redundancy",
        "value": 4.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.712,1.653],
      "number_observations_unique": 7017,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.458
        },
        {
          "type": "R(meas)",
          "value": 0.5184
        },
        {
          "type": "R(pim)",
          "value": 0.2389
        },
        {
          "type": "I/SigI",
          "value": 2.34
        },
        {
          "type": "Completeness",
          "value": 99.03
        },
        {
          "type": "Redundancy",
          "value": 4.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.847
        }
      ]
    }
  ]

}
  

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


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