Data quality metrics extracted from 8vol.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": "350e6f9ac4a390c0c2fada99c0e249dc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 45.52,
    "b": 49.91,
    "c": 72.93,
    "alpha": 91.61,
    "beta": 88.25,
    "gamma": 111.65
  },
  "wavelengths": [0.77490],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.73,0.90],
    "number_observations_unique": 821847,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 9.69
      },
      {
        "type": "Completeness",
        "value": 94.5
      },
      {
        "type": "Redundancy",
        "value": 3.33
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.93,0.9],
      "number_observations_unique": 55324,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.544
        },
        {
          "type": "I/SigI",
          "value": 2.07
        },
        {
          "type": "Completeness",
          "value": 85.9
        },
        {
          "type": "Redundancy",
          "value": 3.15
        },
        {
          "type": "CC(1/2)",
          "value": 0.861
        }
      ]
    }
  ]

}
  

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


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