Data quality metrics extracted from 7gfx.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": "81ce6cb8990b48947f6c95a0fa01e655",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 113.409,
    "b": 53.303,
    "c": 44.385,
    "alpha": 90.00,
    "beta": 101.29,
    "gamma": 90.00
  },
  "wavelengths": [0.91261],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.71,1.55],
    "number_observations": 115435,
    "number_observations_unique": 37591,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.110
      },
      {
        "type": "R(meas)",
        "value": 0.133
      },
      {
        "type": "R(pim)",
        "value": 0.075
      },
      {
        "type": "I/SigI",
        "value": 6.6
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.58,1.55],
      "number_observations": 4725,
      "number_observations_unique": 1869,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.468
        },
        {
          "type": "R(meas)",
          "value": 1.880
        },
        {
          "type": "R(pim)",
          "value": 1.157
        },
        {
          "type": "I/SigI",
          "value": 0.4
        },
        {
          "type": "Redundancy",
          "value": 2.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.243
        }
      ]
    }
  ]

}
  

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


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