Data quality metrics extracted from 7i8y.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": "8fa6b56fde15a3f7ec05e1b0f47fec1c",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.900,
    "b": 61.850,
    "c": 32.887,
    "alpha": 90.00,
    "beta": 92.86,
    "gamma": 90.00
  },
  "wavelengths": [0.92204],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.17,1.70],
    "number_observations": 109890,
    "number_observations_unique": 16113,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.209
      },
      {
        "type": "R(meas)",
        "value": 0.227
      },
      {
        "type": "R(pim)",
        "value": 0.087
      },
      {
        "type": "I/SigI",
        "value": 4.8
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.70],
      "number_observations": 5903,
      "number_observations_unique": 859,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.320
        },
        {
          "type": "R(meas)",
          "value": 2.516
        },
        {
          "type": "R(pim)",
          "value": 0.962
        },
        {
          "type": "I/SigI",
          "value": 0.4
        },
        {
          "type": "Redundancy",
          "value": 6.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.191
        }
      ]
    }
  ]

}
  

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


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