Data quality metrics extracted from 9ddu.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": "2cd49876964b70b9e62c0e91d85f54ec",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 31.021,
    "b": 35.939,
    "c": 64.043,
    "alpha": 86.01,
    "beta": 86.51,
    "gamma": 65.28
  },
  "wavelengths": [1.27200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.63,1.599],
    "number_observations_unique": 29102,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.097
      },
      {
        "type": "R(pim)",
        "value": 0.038
      },
      {
        "type": "I/SigI",
        "value": 88.1
      },
      {
        "type": "Completeness",
        "value": 87.82
      },
      {
        "type": "Redundancy",
        "value": 6.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.657,1.599],
      "number_observations_unique": 2868,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.447
        },
        {
          "type": "R(pim)",
          "value": 0.192
        },
        {
          "type": "Completeness",
          "value": 85.63
        },
        {
          "type": "CC(1/2)",
          "value": 0.928
        }
      ]
    }
  ]

}
  

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


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