Data quality metrics extracted from 7rs1.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": "b0854b4aa1e71ef5e951a829afb6a04b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.580,
    "b": 58.768,
    "c": 93.153,
    "alpha": 86.71,
    "beta": 75.09,
    "gamma": 62.87
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [89.9,1.59],
    "number_observations_unique": 93507,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 17.1
      },
      {
        "type": "Completeness",
        "value": 91.4
      },
      {
        "type": "Redundancy",
        "value": 7.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.59],
      "number_observations_unique": 4676,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.486
        }
      ]
    }
  ]

}
  

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


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