Data quality metrics extracted from 8tys.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": "432c3bafd59e0c1e48ba864779303c4d",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 145.209,
    "b": 145.209,
    "c": 106.491,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.63,2.90],
    "number_observations_unique": 28410,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.085
      },
      {
        "type": "R(meas)",
        "value": 0.093
      },
      {
        "type": "R(pim)",
        "value": 0.039
      },
      {
        "type": "I/SigI",
        "value": 17.3
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 11.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.08,2.90],
      "number_observations_unique": 4562,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.45
        },
        {
          "type": "R(meas)",
          "value": 0.49
        },
        {
          "type": "R(pim)",
          "value": 0.20
        },
        {
          "type": "I/SigI",
          "value": 4.6
        }
      ]
    }
  ]

}
  

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


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