Data quality metrics extracted from 8vth.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": "f56814d5196e905de2b0ca12d0eefb70",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.35,
    "b": 56.63,
    "c": 69.51,
    "alpha": 83.27,
    "beta": 88.72,
    "gamma": 66.72
  },
  "wavelengths": [0.97859],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.4,1.85],
    "number_observations_unique": 53211,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.071
      },
      {
        "type": "I/SigI",
        "value": 13.5
      },
      {
        "type": "Completeness",
        "value": 84.0
      },
      {
        "type": "Redundancy",
        "value": 5.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.85],
      "number_observations_unique": 1298,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.325
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.629
        }
      ]
    }
  ]

}
  

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


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