Data quality metrics extracted from 21ft.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": "8cfaafcd6df79774f17c85c6292305bf",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 62.178,
    "b": 78.268,
    "c": 93.216,
    "alpha": 96.76,
    "beta": 88.88,
    "gamma": 106.11
  },
  "wavelengths": [0.89999],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.00],
    "number_observations_unique": 110288,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 10.79
      },
      {
        "type": "Completeness",
        "value": 96.8
      },
      {
        "type": "Redundancy",
        "value": 3.56
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.12,2.00],
      "number_observations_unique": 17782,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.922
        }
      ]
    }
  ]

}
  

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


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