Data quality metrics extracted from 9dtd.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": "edb5f97ad0ae316762ba2aa1a6d9e056",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 69.309,
    "b": 69.309,
    "c": 49.413,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97926],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [60.02,3.1],
    "number_observations_unique": 4715,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2874
      },
      {
        "type": "R(pim)",
        "value": 0.1422
      },
      {
        "type": "I/SigI",
        "value": 3.58
      },
      {
        "type": "Completeness",
        "value": 97.48
      },
      {
        "type": "Redundancy",
        "value": 5.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.968
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.21,3.1],
      "number_observations_unique": 9371,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7225
        },
        {
          "type": "R(pim)",
          "value": 0.3586
        },
        {
          "type": "I/SigI",
          "value": 1.37
        },
        {
          "type": "Completeness",
          "value": 96.94
        },
        {
          "type": "Redundancy",
          "value": 5.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.844
        }
      ]
    }
  ]

}
  

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


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