Data quality metrics extracted from 7nt4.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": "fdf933e8fb706fa8088b93c1778f814c",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 116.370,
    "b": 116.370,
    "c": 253.566,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.47,2.678],
    "number_observations_unique": 21442,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.2
      },
      {
        "type": "Completeness",
        "value": 95.7
      },
      {
        "type": "Redundancy",
        "value": 38.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.969,2.678],
      "number_observations_unique": 1073,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.699
        }
      ]
    }
  ]

}
  

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


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