Data quality metrics extracted from 36yy.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "a5d29eb35b08a29d666b48f528c6b22f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 50.309,
    "b": 52.779,
    "c": 66.740,
    "alpha": 90.52,
    "beta": 89.95,
    "gamma": 115.49
  },
  "wavelengths": [0.97857],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.41,1.90],
    "number_observations_unique": 47464,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 105.8
      },
      {
        "type": "Completeness",
        "value": 97.25
      },
      {
        "type": "Redundancy",
        "value": 3.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.969
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.96,1.9],
      "number_observations_unique": 4635,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.857
        }
      ]
    }
  ]

}
  

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


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