Data quality metrics extracted from 7n3a.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": "9f145fa724cf988f527d4384216cb697",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 29.77,
    "b": 57.71,
    "c": 44.95,
    "alpha": 90.00,
    "beta": 103.33,
    "gamma": 90.00
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.74,1.50],
    "number_observations_unique": 23517,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.85
      },
      {
        "type": "Completeness",
        "value": 98.4
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.55,1.50],
      "number_observations_unique": 2292,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.734
        }
      ]
    }
  ]

}
  

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


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