Data quality metrics extracted from 7gb4.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": "89f88f0ecbcc3646db97e8b6ac8bca21",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 113.728,
    "b": 53.239,
    "c": 44.482,
    "alpha": 90.00,
    "beta": 102.46,
    "gamma": 90.00
  },
  "wavelengths": [0.91258],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.01,1.86],
    "number_observations": 71442,
    "number_observations_unique": 21387,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.085
      },
      {
        "type": "R(meas)",
        "value": 0.101
      },
      {
        "type": "R(pim)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 8.3
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.86],
      "number_observations": 10810,
      "number_observations_unique": 3158,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.246
        },
        {
          "type": "R(meas)",
          "value": 1.478
        },
        {
          "type": "R(pim)",
          "value": 0.787
        },
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.482
        }
      ]
    }
  ]

}
  

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


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