Data quality metrics extracted from 8c9e.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": "8fbd6af640d726f182804a7aa6f2f9c6",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 127.09,
    "b": 127.09,
    "c": 163.22,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00003],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.77,2.9],
    "number_observations_unique": 34322,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06695
      },
      {
        "type": "R(meas)",
        "value": 0.06867
      },
      {
        "type": "R(pim)",
        "value": 0.01511
      },
      {
        "type": "I/SigI",
        "value": 30.66
      },
      {
        "type": "Completeness",
        "value": 92.86
      },
      {
        "type": "Redundancy",
        "value": 20.8
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.004,2.9],
      "number_observations_unique": 2499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.219
        },
        {
          "type": "R(meas)",
          "value": 3.295
        },
        {
          "type": "R(pim)",
          "value": 0.7003
        },
        {
          "type": "I/SigI",
          "value": 0.98
        },
        {
          "type": "Completeness",
          "value": 74.11
        },
        {
          "type": "Redundancy",
          "value": 22
        },
        {
          "type": "CC(1/2)",
          "value": 0.605
        }
      ]
    }
  ]

}
  

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


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