Data quality metrics extracted from 8bsb.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": "0c75d1f0f7ef81c2ee20df7815bf2383",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 38.337,
    "b": 44.927,
    "c": 56.939,
    "alpha": 75.32,
    "beta": 79.17,
    "gamma": 73.69
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.5,1.9],
    "number_observations_unique": 26736,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09516
      },
      {
        "type": "I/SigI",
        "value": 7.10
      },
      {
        "type": "Completeness",
        "value": 96.88
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.968,1.9],
      "number_observations_unique": 2676,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8823
        },
        {
          "type": "CC(1/2)",
          "value": 0.612
        }
      ]
    }
  ]

}
  

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


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