Data quality metrics extracted from 9gub.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": "2f3d2ff4ae83995469b5f52f1db8eb3e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 37.53,
    "b": 32.85,
    "c": 120.60,
    "alpha": 90.000,
    "beta": 94.738,
    "gamma": 90.000
  },
  "wavelengths": [0.82656],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.063,1.10],
    "number_observations_unique": 119450,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.056
      },
      {
        "type": "I/SigI",
        "value": 15.34
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 6.75
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.13,1.10],
      "number_observations_unique": 8807,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.99
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 6.72
        },
        {
          "type": "CC(1/2)",
          "value": 0.713
        }
      ]
    }
  ]

}
  

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


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