Data quality metrics extracted from 6bkq.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": "72460b30fa0ba627ba158e3b32fc7e52",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 208.784,
    "b": 130.842,
    "c": 72.179,
    "alpha": 90.0,
    "beta": 97.9,
    "gamma": 90.0
  },
  "wavelengths": [1.03310],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.25],
    "number_observations_unique": 91326,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08
      },
      {
        "type": "R(pim)",
        "value": 0.04
      },
      {
        "type": "I/SigI",
        "value": 15.7
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 6.5
      },
      {
        "type": "CC(1/2)",
        "value": 1.00
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.32,2.25],
      "number_observations_unique": 8165,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.59
        },
        {
          "type": "R(pim)",
          "value": 0.30
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 98.2
        },
        {
          "type": "Redundancy",
          "value": 4.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.74
        }
      ]
    }
  ]

}
  

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


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