Data quality metrics extracted from 6e33.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": "5c7955cc0cab8ab4ce39078f1ffb3903",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 50.827,
    "b": 40.682,
    "c": 58.237,
    "alpha": 90.00,
    "beta": 105.84,
    "gamma": 90.00
  },
  "wavelengths": [1.28270,0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.7],
    "number_observations_unique": 24169,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.04
      },
      {
        "type": "I/SigI",
        "value": 24.1
      },
      {
        "type": "Completeness",
        "value": 96.1
      },
      {
        "type": "Redundancy",
        "value": 5.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.932
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.75,1.70],
      "number_observations_unique": 1086,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 87.4
        },
        {
          "type": "Redundancy",
          "value": 3.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.953
        }
      ]
    }
  ]

}
  

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


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