Data quality metrics extracted from 9hif.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": "5c7f1dd4bf759ea35b413d2938312eb2",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 126.089,
    "b": 139.024,
    "c": 169.902,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.7,3.6],
    "number_observations_unique": 16936,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.153
      },
      {
        "type": "I/SigI",
        "value": 8.1
      },
      {
        "type": "Completeness",
        "value": 99.68
      },
      {
        "type": "Redundancy",
        "value": 10
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.78,3.65],
      "number_observations_unique": 16936,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5358
        },
        {
          "type": "R(meas)",
          "value": 0.5576
        },
        {
          "type": "R(pim)",
          "value": 0.153
        },
        {
          "type": "I/SigI",
          "value": 8.08
        },
        {
          "type": "Completeness",
          "value": 99.68
        }
      ]
    }
  ]

}
  

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


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