Data quality metrics extracted from 7snk.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": "4f8dea3c0eeefbb2c70b0e7b3292b248",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 54.45,
    "b": 77.43,
    "c": 133.79,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.54,2],
    "number_observations_unique": 38905,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 22.2
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 23.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.11,2.0],
      "number_observations_unique": 5643,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 5.11
        },
        {
          "type": "CC(1/2)",
          "value": 0.96
        }
      ]
    }
  ]

}
  

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


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