Data quality metrics extracted from 7n2s.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": "28450eba74b9d1f50e2f0cf5d0a114f1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 83.211,
    "b": 52.789,
    "c": 106.291,
    "alpha": 90.000,
    "beta": 98.278,
    "gamma": 90.000
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.56,2.37],
    "number_observations_unique": 23506,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 4.9
      },
      {
        "type": "Completeness",
        "value": 97.1
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.974
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.88,2.75],
      "number_observations_unique": 2936,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.506
        }
      ]
    }
  ]

}
  

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


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