Data quality metrics extracted from 8s34.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": "fc048c256edc33fac1c658beab38c2b6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 83.857,
    "b": 84.878,
    "c": 86.855,
    "alpha": 90.008,
    "beta": 118.530,
    "gamma": 113.699
  },
  "wavelengths": [0.95374],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [75.47,1.86],
    "number_observations_unique": 149305,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.128
      },
      {
        "type": "I/SigI",
        "value": 9.7
      },
      {
        "type": "Completeness",
        "value": 94.6
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.89,1.86],
      "number_observations_unique": 4881,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.282
        }
      ]
    }
  ]

}
  

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


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