Data quality metrics extracted from 8dp9.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": "2fe9f80bc585a22632b82400de0b4da5",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 80.059,
    "b": 80.059,
    "c": 293.949,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.99,1.76],
    "number_observations_unique": 56341,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06828
      },
      {
        "type": "R(meas)",
        "value": 0.06984
      },
      {
        "type": "R(pim)",
        "value": 0.01452
      },
      {
        "type": "I/SigI",
        "value": 31.89
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 23.0
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.839,1.761],
      "number_observations_unique": 5485,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7627
        },
        {
          "type": "R(meas)",
          "value": 0.7795
        },
        {
          "type": "R(pim)",
          "value": 0.159
        },
        {
          "type": "I/SigI",
          "value": 4.18
        },
        {
          "type": "Completeness",
          "value": 99.0
        },
        {
          "type": "Redundancy",
          "value": 23.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.941
        }
      ]
    }
  ]

}
  

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


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