Data quality metrics extracted from 9rfs.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "addca49e39cea88ab84cb41cdc386baa",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.47,
    "b": 47.59,
    "c": 85.41,
    "alpha": 80.45,
    "beta": 80.16,
    "gamma": 73.38
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.45],
    "number_observations_unique": 119221,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.045
      },
      {
        "type": "I/SigI",
        "value": 15.2
      },
      {
        "type": "Completeness",
        "value": 96.0
      },
      {
        "type": "Redundancy",
        "value": 4.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.55,1.45],
      "number_observations_unique": 21408,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.589
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 95.3
        },
        {
          "type": "Redundancy",
          "value": 4.1
        }
      ]
    }
  ]

}
  

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


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