Data quality metrics extracted from 8e9e.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": "6da7c8f3875b79a79c1661333ca85e5f",
  "space_group_name": "P 61",
  "unit_cell": {
    "a": 169.898,
    "b": 169.898,
    "c": 69.339,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.11600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.38,2.844],
    "number_observations_unique": 26864,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1562
      },
      {
        "type": "R(meas)",
        "value": 0.1712
      },
      {
        "type": "R(pim)",
        "value": 0.0666
      },
      {
        "type": "I/SigI",
        "value": 10.49
      },
      {
        "type": "Completeness",
        "value": 99.00
      },
      {
        "type": "Redundancy",
        "value": 5.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.946,2.844],
      "number_observations_unique": 2626,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7442
        },
        {
          "type": "R(meas)",
          "value": 0.8176
        },
        {
          "type": "R(pim)",
          "value": 0.3233
        },
        {
          "type": "I/SigI",
          "value": 1.98
        },
        {
          "type": "Completeness",
          "value": 97.80
        },
        {
          "type": "Redundancy",
          "value": 5.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.679
        }
      ]
    }
  ]

}
  

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


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