Data quality metrics extracted from 7nq4.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": "e10e57ef6fec57b3d0429dca75958d53",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 161.84,
    "b": 56.96,
    "c": 102.96,
    "alpha": 90.000,
    "beta": 124.935,
    "gamma": 90.000
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.20,2.88],
    "number_observations_unique": 17591,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.116
      },
      {
        "type": "I/SigI",
        "value": 13.83
      },
      {
        "type": "Completeness",
        "value": 81.6
      },
      {
        "type": "Redundancy",
        "value": 6.788
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.98,2.88],
      "number_observations_unique": 1703,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.81
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 6.985
        },
        {
          "type": "CC(1/2)",
          "value": 0.876
        }
      ]
    }
  ]

}
  

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


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