Data quality metrics extracted from 9or0.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": "dca261bbcb6ec92bb395e898ef6e8da3",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 87.101,
    "b": 87.101,
    "c": 147.377,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.95,1.75],
    "number_observations_unique": 57903,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.012
      },
      {
        "type": "I/SigI",
        "value": 39.0
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 28.6
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.78,1.75],
      "number_observations_unique": 3116,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.845
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.680
        }
      ]
    }
  ]

}
  

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


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