Data quality metrics extracted from 9iqb.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": "e00a7815c386b086d3536df2715b193f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 109.93,
    "b": 158.62,
    "c": 158.91,
    "alpha": 60.118,
    "beta": 88.192,
    "gamma": 87.478
  },
  "wavelengths": [1.54179],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35,3.0],
    "number_observations_unique": 175099,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.165
      },
      {
        "type": "R(meas)",
        "value": 0.233
      },
      {
        "type": "I/SigI",
        "value": 4.33
      },
      {
        "type": "Completeness",
        "value": 93.9
      },
      {
        "type": "Redundancy",
        "value": 1.99
      },
      {
        "type": "CC(1/2)",
        "value": 0.97
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.2,3.0],
      "number_observations_unique": 31024,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.65
        },
        {
          "type": "R(meas)",
          "value": 0.92
        },
        {
          "type": "CC(1/2)",
          "value": 0.5
        }
      ]
    }
  ]

}
  

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


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