Data quality metrics extracted from 9iw4.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": "67430087871ce2db668b5cf17a34a933",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 77.377,
    "b": 37.374,
    "c": 41.014,
    "alpha": 90.00,
    "beta": 117.04,
    "gamma": 90.00
  },
  "wavelengths": [0.96540],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.53,1.34],
    "number_observations": 106372,
    "number_observations_unique": 22330,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.060
      },
      {
        "type": "R(meas)",
        "value": 0.067
      },
      {
        "type": "R(pim)",
        "value": 0.029
      },
      {
        "type": "I/SigI",
        "value": 11.2
      },
      {
        "type": "Completeness",
        "value": 94.9
      },
      {
        "type": "Redundancy",
        "value": 4.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.39,1.34],
      "number_observations": 4068,
      "number_observations_unique": 1429,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.733
        },
        {
          "type": "R(meas)",
          "value": 2.089
        },
        {
          "type": "R(pim)",
          "value": 1.136
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Redundancy",
          "value": 2.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.251
        }
      ]
    }
  ]

}
  

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


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