Data quality metrics extracted from 7yja.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": "a1474463bd4ccc853f723ce6e415f4f3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 77.763,
    "b": 72.374,
    "c": 83.492,
    "alpha": 90.00,
    "beta": 97.37,
    "gamma": 90.00
  },
  "wavelengths": [0.97980],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.39,2.17],
    "number_observations_unique": 42013,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.5
      },
      {
        "type": "Completeness",
        "value": 86.09
      },
      {
        "type": "Redundancy",
        "value": 5.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.977
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.248,2.17],
      "number_observations_unique": 2889,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.787
        }
      ]
    }
  ]

}
  

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


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