Data quality metrics extracted from 4bsx.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": "75df82529d8c7b3e7d98371e11ebdd08",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.307,
    "b": 49.331,
    "c": 70.142,
    "alpha": 88.66,
    "beta": 77.63,
    "gamma": 72.22
  },
  "wavelengths": [1.10700,0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [68.44,2.22],
    "number_observations_unique": 27104,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10
      },
      {
        "type": "I/SigI",
        "value": 6.72
      },
      {
        "type": "Completeness",
        "value": 93.7
      },
      {
        "type": "Redundancy",
        "value": 3.83
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.35,2.22],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.37
        },
        {
          "type": "I/SigI",
          "value": 1.90
        },
        {
          "type": "Completeness",
          "value": 71.6
        },
        {
          "type": "Redundancy",
          "value": 3.54
        }
      ]
    }
  ]

}
  

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


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