Data quality metrics extracted from 8s63.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": "000fbdd372d54ef46105556878c9c44c",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 103.99,
    "b": 103.99,
    "c": 64.57,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.85500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.48,1.17],
    "number_observations_unique": 132306,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.057
      },
      {
        "type": "R(meas)",
        "value": 0.071
      },
      {
        "type": "R(pim)",
        "value": 0.040
      },
      {
        "type": "I/SigI",
        "value": 9.2
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 4.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.19,1.17],
      "number_observations_unique": 6482,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.698
        },
        {
          "type": "R(meas)",
          "value": 2.092
        },
        {
          "type": "R(pim)",
          "value": 1.191
        },
        {
          "type": "Redundancy",
          "value": 3.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.327
        }
      ]
    }
  ]

}
  

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


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