Data quality metrics extracted from 7rs4.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": "60f2db481208c04679aa294e40229563",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.087,
    "b": 58.816,
    "c": 93.709,
    "alpha": 86.88,
    "beta": 75.21,
    "gamma": 63.40
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [90.39,1.78],
    "number_observations_unique": 49778,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.0
      },
      {
        "type": "Completeness",
        "value": 54.3
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.02,1.78],
      "number_observations_unique": 2490,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.553
        }
      ]
    }
  ]

}
  

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


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