Data quality metrics extracted from 7i41.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "f3100c745d44ec1cc82c39c7396c620e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.668,
    "b": 61.457,
    "c": 65.276,
    "alpha": 90.00,
    "beta": 92.97,
    "gamma": 90.00
  },
  "wavelengths": [0.92201],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.69,1.64],
    "number_observations": 115764,
    "number_observations_unique": 34938,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.112
      },
      {
        "type": "R(meas)",
        "value": 0.132
      },
      {
        "type": "R(pim)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 3.9
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.64],
      "number_observations": 16945,
      "number_observations_unique": 5061,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.223
        },
        {
          "type": "R(meas)",
          "value": 1.447
        },
        {
          "type": "R(pim)",
          "value": 0.760
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.415
        }
      ]
    }
  ]

}
  

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


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