Data quality metrics extracted from 5h23.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": "1c0476f4bf8a32edd28d7cf6b442674c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 33.307,
    "b": 39.096,
    "c": 59.261,
    "alpha": 92.36,
    "beta": 91.18,
    "gamma": 103.00
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.2],
    "number_observations_unique": 16535,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 14.48
      },
      {
        "type": "Completeness",
        "value": 91.12
      },
      {
        "type": "Redundancy",
        "value": 2.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.24,2.2],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.221
        }
      ]
    }
  ]

}
  

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


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