Data quality metrics extracted from 7i4m.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": "474eba3210940e5bd5462e0ae7a6c6f4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 86.889,
    "b": 57.070,
    "c": 64.893,
    "alpha": 90.00,
    "beta": 94.59,
    "gamma": 90.00
  },
  "wavelengths": [0.92201],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [64.70,1.23],
    "number_observations": 445376,
    "number_observations_unique": 80768,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.088
      },
      {
        "type": "R(meas)",
        "value": 0.097
      },
      {
        "type": "R(pim)",
        "value": 0.039
      },
      {
        "type": "I/SigI",
        "value": 11.6
      },
      {
        "type": "Completeness",
        "value": 88.0
      },
      {
        "type": "Redundancy",
        "value": 5.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.25,1.23],
      "number_observations": 3254,
      "number_observations_unique": 1662,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.119
        },
        {
          "type": "R(meas)",
          "value": 1.489
        },
        {
          "type": "R(pim)",
          "value": 0.970
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Redundancy",
          "value": 2.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.336
        }
      ]
    }
  ]

}
  

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


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