Data quality metrics extracted from 9iaq.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": "d9571e5e3803fc5fc4cdb883fe4ac1da",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 37.873,
    "b": 85.778,
    "c": 84.164,
    "alpha": 90.000,
    "beta": 96.963,
    "gamma": 90.000
  },
  "wavelengths": [0.97926],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.889,1.89],
    "number_observations_unique": 42489,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.048
      },
      {
        "type": "R(pim)",
        "value": 0.019
      },
      {
        "type": "I/SigI",
        "value": 21.4
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.926,1.893],
      "number_observations_unique": 11534,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.307
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.86
        }
      ]
    }
  ]

}
  

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


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