Data quality metrics extracted from 7ge5.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": "dc1cc68e711bd449c9d974f2c5154806",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 114.315,
    "b": 53.489,
    "c": 44.394,
    "alpha": 90.00,
    "beta": 100.92,
    "gamma": 90.00
  },
  "wavelengths": [0.91261],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.16,1.64],
    "number_observations": 100061,
    "number_observations_unique": 32098,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.135
      },
      {
        "type": "R(meas)",
        "value": 0.163
      },
      {
        "type": "R(pim)",
        "value": 0.090
      },
      {
        "type": "I/SigI",
        "value": 5.2
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.990
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.67,1.64],
      "number_observations": 4121,
      "number_observations_unique": 1537,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.181
        },
        {
          "type": "R(meas)",
          "value": 1.473
        },
        {
          "type": "R(pim)",
          "value": 0.868
        },
        {
          "type": "I/SigI",
          "value": 0.4
        },
        {
          "type": "Redundancy",
          "value": 2.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.282
        }
      ]
    }
  ]

}
  

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


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