Data quality metrics extracted from 8bsu.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": "98a73d1931949be54f396c7c91b0ed01",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 83.145,
    "b": 100.559,
    "c": 132.826,
    "alpha": 90.00,
    "beta": 103.93,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.84,2.90],
    "number_observations": 192159,
    "number_observations_unique": 47190,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.133
      },
      {
        "type": "R(pim)",
        "value": 0.066
      },
      {
        "type": "I/SigI",
        "value": 11.6
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 4.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.06,2.90],
      "number_observations": 27910,
      "number_observations_unique": 6808,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.498
        },
        {
          "type": "R(pim)",
          "value": 0.245
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Redundancy",
          "value": 4.1
        }
      ]
    }
  ]

}
  

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


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