Data quality metrics extracted from 8d2b.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": "ebc934e302da2f534e0ddd2de6c3e687",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 23.074,
    "b": 29.567,
    "c": 80.309,
    "alpha": 95.66,
    "beta": 91.51,
    "gamma": 109.96
  },
  "wavelengths": [0.97650],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.34,1.440],
    "number_observations_unique": 33441,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0705
      },
      {
        "type": "R(pim)",
        "value": 0.0424
      },
      {
        "type": "I/SigI",
        "value": 11.26
      },
      {
        "type": "Completeness",
        "value": 93.35
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.492,1.441],
      "number_observations_unique": 2581,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.835
        }
      ]
    }
  ]

}
  

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


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