Data quality metrics extracted from 9u5x.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": "d7f8cf583731997fa807dd61c7acf513",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 41.910,
    "b": 78.532,
    "c": 85.331,
    "alpha": 90.000,
    "beta": 103.542,
    "gamma": 90.000
  },
  "wavelengths": [0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.48,1.47],
    "number_observations_unique": 89513,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 4.52
      },
      {
        "type": "Completeness",
        "value": 88.70
      },
      {
        "type": "Redundancy",
        "value": 2.53
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.52,1.47],
      "number_observations_unique": 89513,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.960
        }
      ]
    }
  ]

}
  

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


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