Data quality metrics extracted from 6e53.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": "c9a739a9ef22f161d50243b54305300e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.02,
    "b": 52.10,
    "c": 100.48,
    "alpha": 90.00,
    "beta": 98.45,
    "gamma": 90.00
  },
  "wavelengths": [1.54178],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,2.800],
    "number_observations_unique": 20467,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.2600
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 20.00
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.87,2.80],
      "number_observations_unique": 1608,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 18.00
        },
        {
          "type": "CC(1/2)",
          "value": 0.521
        }
      ]
    }
  ]

}
  

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


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