Data quality metrics extracted from 5za3.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": "ff68297e9d48ce9c0fa2f0e257d4e240",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 39.647,
    "b": 83.984,
    "c": 39.978,
    "alpha": 90.0,
    "beta": 108.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97947],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25,1.5],
    "number_observations_unique": 35819,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0649
      },
      {
        "type": "I/SigI",
        "value": 35.388
      },
      {
        "type": "Completeness",
        "value": 90
      },
      {
        "type": "Redundancy",
        "value": 3.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.53,1.5],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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