Data quality metrics extracted from 7i6i.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": "cdb15740b8c5ecfb633268290b46cf5e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 73.381,
    "b": 61.004,
    "c": 32.577,
    "alpha": 90.00,
    "beta": 92.49,
    "gamma": 90.00
  },
  "wavelengths": [0.92204],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.87,1.60],
    "number_observations": 131471,
    "number_observations_unique": 18998,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.308
      },
      {
        "type": "R(meas)",
        "value": 0.333
      },
      {
        "type": "R(pim)",
        "value": 0.125
      },
      {
        "type": "I/SigI",
        "value": 12.9
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.60],
      "number_observations": 6025,
      "number_observations_unique": 939,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.845
        },
        {
          "type": "R(meas)",
          "value": 5.277
        },
        {
          "type": "R(pim)",
          "value": 2.070
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Redundancy",
          "value": 6.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.140
        }
      ]
    }
  ]

}
  

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


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