Data quality metrics extracted from 7i28.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": "e09d72af34b0405129bc1c93ab1f5415",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 82.558,
    "b": 117.169,
    "c": 148.292,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.17,1.63],
    "number_observations": 1172538,
    "number_observations_unique": 89670,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.131
      },
      {
        "type": "R(meas)",
        "value": 0.136
      },
      {
        "type": "R(pim)",
        "value": 0.037
      },
      {
        "type": "I/SigI",
        "value": 9.7
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 13.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.66,1.63],
      "number_observations": 46193,
      "number_observations_unique": 4521,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.469
        },
        {
          "type": "R(meas)",
          "value": 4.705
        },
        {
          "type": "R(pim)",
          "value": 1.459
        },
        {
          "type": "I/SigI",
          "value": 0.2
        },
        {
          "type": "Redundancy",
          "value": 10.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.444
        }
      ]
    }
  ]

}
  

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


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