Data quality metrics extracted from 5hyj.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": "7d4b9c130c8a038fb9e67e7e15b8a795",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 41.44,
    "b": 97.31,
    "c": 121.37,
    "alpha": 97.29,
    "beta": 97.66,
    "gamma": 92.73
  },
  "wavelengths": [0.91731],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.63,3.06],
    "number_observations_unique": 34039,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.091
      },
      {
        "type": "I/SigI",
        "value": 5.7
      },
      {
        "type": "Completeness",
        "value": 97.2
      },
      {
        "type": "Redundancy",
        "value": 2.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.14,3.06],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.27
        }
      ]
    }
  ]

}
  

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


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