Data quality metrics extracted from 43ea.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "094d864e8dbd3b4a7dd4009d4c3bd44d",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 69.98,
    "b": 108.43,
    "c": 165.49,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [82.75,1.98],
    "number_observations_unique": 44076,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03546
      },
      {
        "type": "R(meas)",
        "value": 0.05014
      },
      {
        "type": "R(pim)",
        "value": 0.03546
      },
      {
        "type": "I/SigI",
        "value": 14.28
      },
      {
        "type": "Completeness",
        "value": 99.39
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,1.98],
      "number_observations_unique": 4228,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.415
        },
        {
          "type": "R(meas)",
          "value": 0.588
        },
        {
          "type": "R(pim)",
          "value": 0.415
        },
        {
          "type": "I/SigI",
          "value": 2.41
        },
        {
          "type": "Completeness",
          "value": 98.71
        },
        {
          "type": "Redundancy",
          "value": 2.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.521
        }
      ]
    }
  ]

}
  

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


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