Data quality metrics extracted from 9iil.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": "347d20d1739d04f18ea8b321ab842bd2",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 145.365,
    "b": 167.131,
    "c": 149.592,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.87313],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [88.454,2.20],
    "number_observations_unique": 91060,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.230
      },
      {
        "type": "R(meas)",
        "value": 0.23
      },
      {
        "type": "R(pim)",
        "value": 0.064
      },
      {
        "type": "I/SigI",
        "value": 9.3
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "Redundancy",
        "value": 13.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.24,2.20],
      "number_observations_unique": 4425,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.38
        },
        {
          "type": "R(meas)",
          "value": 2.46
        },
        {
          "type": "R(pim)",
          "value": 0.64
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 98.1
        },
        {
          "type": "Redundancy",
          "value": 14.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.725
        }
      ]
    }
  ]

}
  

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


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