Data quality metrics extracted from 6o40.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": "7c2f1f874a130d93cb99843c1276d395",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 49.337,
    "b": 49.337,
    "c": 75.894,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97856],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.37,1.197],
    "number_observations_unique": 21440,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04153
      },
      {
        "type": "R(meas)",
        "value": 0.04364
      },
      {
        "type": "R(pim)",
        "value": 0.01325
      },
      {
        "type": "I/SigI",
        "value": 21.65
      },
      {
        "type": "Completeness",
        "value": 98.43
      },
      {
        "type": "Redundancy",
        "value": 9.8
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.24,1.197],
      "number_observations_unique": 1943,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7144
        },
        {
          "type": "R(meas)",
          "value": 0.8282
        },
        {
          "type": "R(pim)",
          "value": 0.4048
        },
        {
          "type": "I/SigI",
          "value": 1.55
        },
        {
          "type": "Completeness",
          "value": 88.36
        },
        {
          "type": "Redundancy",
          "value": 3.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.844
        }
      ]
    }
  ]

}
  

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


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