Data quality metrics extracted from 8daj.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": "c57d144d219f9897f86fd1634f09d2c2",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 45.51,
    "b": 45.51,
    "c": 211.26,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.93,1.2],
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1339
      },
      {
        "type": "R(meas)",
        "value": 0.1378
      },
      {
        "type": "R(pim)",
        "value": 0.03208
      },
      {
        "type": "I/SigI",
        "value": 11.84
      },
      {
        "type": "Completeness",
        "value": 97.69
      },
      {
        "type": "Redundancy",
        "value": 16.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.243,1.2],
      "number_observations_unique": 6485,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4728
        },
        {
          "type": "R(meas)",
          "value": 0.5169
        },
        {
          "type": "R(pim)",
          "value": 0.1991
        },
        {
          "type": "I/SigI",
          "value": 1.51
        },
        {
          "type": "Completeness",
          "value": 81.80
        },
        {
          "type": "Redundancy",
          "value": 6.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.824
        }
      ]
    }
  ]

}
  

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


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