Data quality metrics extracted from 6ddp.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": "e5244aed2bc0b6976cd7892b905ccc1e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.770,
    "b": 60.552,
    "c": 60.637,
    "alpha": 90.04,
    "beta": 90.02,
    "gamma": 90.03
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.43,1.49],
    "number_observations_unique": 118402,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.020
      },
      {
        "type": "R(pim)",
        "value": 0.020
      },
      {
        "type": "I/SigI",
        "value": 19.6
      },
      {
        "type": "Completeness",
        "value": 83.15
      },
      {
        "type": "Redundancy",
        "value": 1.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.49,1.46],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.239
        },
        {
          "type": "R(pim)",
          "value": 0.239
        }
      ]
    }
  ]

}
  

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


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