Data quality metrics extracted from 7t7n.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": "a2f2b08af8186d1678a986446a2d51e8",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 124.720,
    "b": 88.221,
    "c": 48.257,
    "alpha": 90.000,
    "beta": 101.067,
    "gamma": 90.000
  },
  "wavelengths": [1.58950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.36,1.99],
    "number_observations_unique": 31632,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 12.7
      },
      {
        "type": "Completeness",
        "value": 90.5
      },
      {
        "type": "Redundancy",
        "value": 6.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,1.99],
      "number_observations_unique": 1004,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.311
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.797
        }
      ]
    }
  ]

}
  

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


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