Data quality metrics extracted from 7gds.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": "0cbb802182d82edb46668a148a8c3e9c",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 113.450,
    "b": 52.884,
    "c": 44.193,
    "alpha": 90.00,
    "beta": 103.08,
    "gamma": 90.00
  },
  "wavelengths": [0.91259],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.22,1.46],
    "number_observations": 124618,
    "number_observations_unique": 43862,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.093
      },
      {
        "type": "R(meas)",
        "value": 0.113
      },
      {
        "type": "R(pim)",
        "value": 0.063
      },
      {
        "type": "I/SigI",
        "value": 6.4
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "Redundancy",
        "value": 2.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.48,1.46],
      "number_observations": 4073,
      "number_observations_unique": 2025,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.086
        },
        {
          "type": "R(meas)",
          "value": 1.442
        },
        {
          "type": "R(pim)",
          "value": 0.940
        },
        {
          "type": "I/SigI",
          "value": 0.4
        },
        {
          "type": "Redundancy",
          "value": 2.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.311
        }
      ]
    }
  ]

}
  

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


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