Data quality metrics extracted from 7i3o.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": "6d2e0fc09e3772b16b5ca92874668509",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.853,
    "b": 62.059,
    "c": 32.744,
    "alpha": 90.00,
    "beta": 93.16,
    "gamma": 90.00
  },
  "wavelengths": [0.92203],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.21,1.69],
    "number_observations": 77979,
    "number_observations_unique": 14134,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.120
      },
      {
        "type": "R(meas)",
        "value": 0.131
      },
      {
        "type": "R(pim)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 6.9
      },
      {
        "type": "Completeness",
        "value": 86.2
      },
      {
        "type": "Redundancy",
        "value": 5.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.78,1.69],
      "number_observations": 5533,
      "number_observations_unique": 1580,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.601
        },
        {
          "type": "R(meas)",
          "value": 1.857
        },
        {
          "type": "R(pim)",
          "value": 0.912
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Redundancy",
          "value": 3.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.434
        }
      ]
    }
  ]

}
  

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


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