Data quality metrics extracted from 7i7a.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": "e0dcbb3153d4868827ebaa7d6bd2936f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.536,
    "b": 61.742,
    "c": 32.714,
    "alpha": 90.00,
    "beta": 92.88,
    "gamma": 90.00
  },
  "wavelengths": [0.92204],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.95,1.64],
    "number_observations": 113864,
    "number_observations_unique": 17535,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.365
      },
      {
        "type": "R(meas)",
        "value": 0.397
      },
      {
        "type": "R(pim)",
        "value": 0.152
      },
      {
        "type": "I/SigI",
        "value": 5.7
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "Redundancy",
        "value": 6.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.983
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.67,1.64],
      "number_observations": 4102,
      "number_observations_unique": 610,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.405
        },
        {
          "type": "R(meas)",
          "value": 21.021
        },
        {
          "type": "R(pim)",
          "value": 1.381
        },
        {
          "type": "I/SigI",
          "value": 0.2
        },
        {
          "type": "Redundancy",
          "value": 6.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.620
        }
      ]
    }
  ]

}
  

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


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