Data quality metrics extracted from 6hdb.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": "7c83ef7b31f806358fe6f3e589f508e2",
  "space_group_name": "P 4 21 2",
  "unit_cell": {
    "a": 131.92,
    "b": 131.92,
    "c": 132.79,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.24610],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.64,2.90],
    "number_observations_unique": 26575,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.177
      },
      {
        "type": "R(pim)",
        "value": 0.026
      },
      {
        "type": "I/SigI",
        "value": 10.2
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 27
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.004,2.90],
      "number_observations_unique": 2588,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 14.32
        },
        {
          "type": "R(pim)",
          "value": 2.23
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 27.1
        }
      ]
    }
  ]

}
  

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


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