Data quality metrics extracted from 7i7c.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": "58f57d6fb871f1f4cd6dc22380a69513",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.565,
    "b": 61.200,
    "c": 65.009,
    "alpha": 90.0,
    "beta": 92.8,
    "gamma": 90.0
  },
  "wavelengths": [0.92204],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.45,1.27],
    "number_observations": 394620,
    "number_observations_unique": 70797,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.068
      },
      {
        "type": "R(meas)",
        "value": 0.075
      },
      {
        "type": "R(pim)",
        "value": 0.030
      },
      {
        "type": "I/SigI",
        "value": 12.4
      },
      {
        "type": "Completeness",
        "value": 94.6
      },
      {
        "type": "Redundancy",
        "value": 5.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.29,1.27],
      "number_observations": 4577,
      "number_observations_unique": 2138,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.119
        },
        {
          "type": "R(meas)",
          "value": 1.520
        },
        {
          "type": "R(pim)",
          "value": 1.017
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Redundancy",
          "value": 2.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.353
        }
      ]
    }
  ]

}
  

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


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