Data quality metrics extracted from 5jsz.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": "7ffc14bcf92c1810e009a31a51b56edd",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 88.82,
    "b": 95.32,
    "c": 107.57,
    "alpha": 83.45,
    "beta": 65.75,
    "gamma": 61.99
  },
  "wavelengths": [0.97242],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3],
    "number_observations_unique": 52519,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04300
      },
      {
        "type": "I/SigI",
        "value": 10.5400
      },
      {
        "type": "Completeness",
        "value": 92.6
      },
      {
        "type": "Redundancy",
        "value": 1.76
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.08,3],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.6
        },
        {
          "type": "Redundancy",
          "value": 1.72
        }
      ]
    }
  ]

}
  

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


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