Data quality metrics extracted from 7kd8.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": "b0297b0a8f1fff8e43cac5168fa3e4fe",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.497,
    "b": 43.587,
    "c": 115.942,
    "alpha": 97.969,
    "beta": 98.648,
    "gamma": 96.761
  },
  "wavelengths": [1.07812],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.65,1.71],
    "number_observations_unique": 82430,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04573
      },
      {
        "type": "R(meas)",
        "value": 0.05349
      },
      {
        "type": "R(pim)",
        "value": 0.02758
      },
      {
        "type": "I/SigI",
        "value": 13.88
      },
      {
        "type": "Completeness",
        "value": 91.78
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.771,1.71],
      "number_observations_unique": 8133,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5776
        },
        {
          "type": "R(meas)",
          "value": 0.6697
        },
        {
          "type": "I/SigI",
          "value": 1.92
        },
        {
          "type": "Completeness",
          "value": 91.33
        },
        {
          "type": "Redundancy",
          "value": 3.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.901
        }
      ]
    }
  ]

}
  

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


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