Data quality metrics extracted from 9zdm.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": "762eda4332033b7fc54a6d8e6c992d4e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 34.831,
    "b": 52.923,
    "c": 66.390,
    "alpha": 72.027,
    "beta": 86.914,
    "gamma": 71.845
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.85,1.85],
    "number_observations_unique": 34223,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.087
      },
      {
        "type": "R(meas)",
        "value": 0.104
      },
      {
        "type": "R(pim)",
        "value": 0.056
      },
      {
        "type": "I/SigI",
        "value": 6.8
      },
      {
        "type": "Completeness",
        "value": 94.6
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.92],
      "number_observations_unique": 1831,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.769
        }
      ]
    }
  ]

}
  

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


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