Data quality metrics extracted from 7gbx.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": "4a44cff4bcdafa7687caa2c103d6a5ad",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 113.382,
    "b": 53.422,
    "c": 44.761,
    "alpha": 90.0,
    "beta": 101.4,
    "gamma": 90.0
  },
  "wavelengths": [0.91256],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.57,1.91],
    "number_observations": 66564,
    "number_observations_unique": 20472,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.119
      },
      {
        "type": "R(meas)",
        "value": 0.142
      },
      {
        "type": "R(pim)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 7.0
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.95,1.91],
      "number_observations": 4565,
      "number_observations_unique": 1364,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.564
        },
        {
          "type": "R(meas)",
          "value": 1.862
        },
        {
          "type": "R(pim)",
          "value": 1.000
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.381
        }
      ]
    }
  ]

}
  

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


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