Data quality metrics extracted from 7c72.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": "c95b0d679a5f766ffc550d08060155ce",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 183.95,
    "b": 183.95,
    "c": 146.31,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97853],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.4897392546,3.0],
    "number_observations_unique": 56249,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2407
      },
      {
        "type": "R(meas)",
        "value": 0.2473
      },
      {
        "type": "R(pim)",
        "value": 0.0564
      },
      {
        "type": "I/SigI",
        "value": 7.97
      },
      {
        "type": "Completeness",
        "value": 99.90
      },
      {
        "type": "Redundancy",
        "value": 19.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.107,3.00],
      "number_observations_unique": 5581,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.358
        },
        {
          "type": "R(meas)",
          "value": 3.448
        },
        {
          "type": "R(pim)",
          "value": 0.7807
        },
        {
          "type": "I/SigI",
          "value": 0.86
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 19.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.297
        }
      ]
    }
  ]

}
  

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


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