Data quality metrics extracted from 6wjh.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": "cba9393aec8f4cab1164f725c0f1a125",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 55.493,
    "b": 78.195,
    "c": 72.911,
    "alpha": 77.44,
    "beta": 77.34,
    "gamma": 89.59
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.79,2.19],
    "number_observations_unique": 56569,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.12
      },
      {
        "type": "I/SigI",
        "value": 19.9
      },
      {
        "type": "Completeness",
        "value": 96.6
      },
      {
        "type": "Redundancy",
        "value": 2.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.952
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.25,2.19],
      "number_observations_unique": 2745,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.372
        },
        {
          "type": "CC(1/2)",
          "value": 0.757
        }
      ]
    }
  ]

}
  

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


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