Data quality metrics extracted from 7i6u.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": "870191dce9f6ae1217c2dd20c329d87a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.534,
    "b": 61.622,
    "c": 65.197,
    "alpha": 90.00,
    "beta": 92.91,
    "gamma": 90.00
  },
  "wavelengths": [0.92206],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.94,1.46],
    "number_observations": 278595,
    "number_observations_unique": 47046,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.090
      },
      {
        "type": "R(meas)",
        "value": 0.098
      },
      {
        "type": "R(pim)",
        "value": 0.038
      },
      {
        "type": "I/SigI",
        "value": 9.2
      },
      {
        "type": "Completeness",
        "value": 93.7
      },
      {
        "type": "Redundancy",
        "value": 5.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.53,1.46],
      "number_observations": 19087,
      "number_observations_unique": 5746,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.192
        },
        {
          "type": "R(meas)",
          "value": 1.389
        },
        {
          "type": "R(pim)",
          "value": 0.687
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.467
        }
      ]
    }
  ]

}
  

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


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