Data quality metrics extracted from 8bdi.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": "5c76deb2d9d02daa3ae40126a3f219dc",
  "space_group_name": "P 41 2 2",
  "unit_cell": {
    "a": 92.733,
    "b": 92.733,
    "c": 364.235,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99970],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [364.235,2.108],
    "number_observations": 998971,
    "number_observations_unique": 76137,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.092
      },
      {
        "type": "R(meas)",
        "value": 0.096
      },
      {
        "type": "R(pim)",
        "value": 0.026
      },
      {
        "type": "I/SigI",
        "value": 17.400
      },
      {
        "type": "Completeness",
        "value": 95.200
      },
      {
        "type": "Redundancy",
        "value": 13.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.272,2.108],
      "number_observations_unique": 3809,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.677
        },
        {
          "type": "R(meas)",
          "value": 1.749
        },
        {
          "type": "R(pim)",
          "value": 0.494
        },
        {
          "type": "Completeness",
          "value": 66.800
        },
        {
          "type": "Redundancy",
          "value": 12.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.622
        }
      ]
    }
  ]

}
  

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


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