Data quality metrics extracted from 7i4s.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": "d57b8d238e7db79c4fecbf11370ff9e4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.879,
    "b": 61.340,
    "c": 32.689,
    "alpha": 90.00,
    "beta": 92.96,
    "gamma": 90.00
  },
  "wavelengths": [0.92201],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.90,1.41],
    "number_observations": 174971,
    "number_observations_unique": 27735,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.063
      },
      {
        "type": "R(meas)",
        "value": 0.068
      },
      {
        "type": "R(pim)",
        "value": 0.026
      },
      {
        "type": "I/SigI",
        "value": 15.1
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 6.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.43,1.41],
      "number_observations": 5937,
      "number_observations_unique": 1369,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.603
        },
        {
          "type": "R(meas)",
          "value": 1.829
        },
        {
          "type": "R(pim)",
          "value": 0.861
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Redundancy",
          "value": 4.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.407
        }
      ]
    }
  ]

}
  

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


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