Data quality metrics extracted from 7i4p.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": "28fc34540d79d7128ee0016bbdf31762",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.843,
    "b": 61.771,
    "c": 32.731,
    "alpha": 90.00,
    "beta": 92.62,
    "gamma": 90.00
  },
  "wavelengths": [0.92201],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.70,1.64],
    "number_observations": 96489,
    "number_observations_unique": 17907,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.139
      },
      {
        "type": "R(meas)",
        "value": 0.154
      },
      {
        "type": "R(pim)",
        "value": 0.065
      },
      {
        "type": "I/SigI",
        "value": 6.3
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 5.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.72,1.64],
      "number_observations": 14180,
      "number_observations_unique": 2596,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.890
        },
        {
          "type": "R(meas)",
          "value": 2.085
        },
        {
          "type": "R(pim)",
          "value": 0.872
        },
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Redundancy",
          "value": 5.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.402
        }
      ]
    }
  ]

}
  

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


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