Data quality metrics extracted from 7h4q.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": "f5935b52c91bd932c26b1c74368fdf1b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.447,
    "b": 60.817,
    "c": 32.373,
    "alpha": 90.00,
    "beta": 93.21,
    "gamma": 90.00
  },
  "wavelengths": [0.94054],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.55,2.03],
    "number_observations": 32020,
    "number_observations_unique": 8863,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.318
      },
      {
        "type": "R(meas)",
        "value": 0.377
      },
      {
        "type": "R(pim)",
        "value": 0.197
      },
      {
        "type": "I/SigI",
        "value": 3.0
      },
      {
        "type": "Completeness",
        "value": 97.2
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.913
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.14,2.03],
      "number_observations": 4685,
      "number_observations_unique": 1288,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.666
        },
        {
          "type": "R(meas)",
          "value": 1.996
        },
        {
          "type": "R(pim)",
          "value": 1.068
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Redundancy",
          "value": 3.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.274
        }
      ]
    }
  ]

}
  

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


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