Data quality metrics extracted from 7gf2.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": "6f9ff9034f7f4e7fff2a6b5b87a48d1f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 114.149,
    "b": 53.486,
    "c": 44.501,
    "alpha": 90.00,
    "beta": 100.81,
    "gamma": 90.00
  },
  "wavelengths": [0.91265],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.05,1.38],
    "number_observations": 148926,
    "number_observations_unique": 53455,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.090
      },
      {
        "type": "R(meas)",
        "value": 0.111
      },
      {
        "type": "R(pim)",
        "value": 0.063
      },
      {
        "type": "I/SigI",
        "value": 9.6
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 2.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.41,1.38],
      "number_observations": 5161,
      "number_observations_unique": 2669,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.142
        },
        {
          "type": "R(meas)",
          "value": 1.512
        },
        {
          "type": "R(pim)",
          "value": 0.981
        },
        {
          "type": "I/SigI",
          "value": 0.4
        },
        {
          "type": "Redundancy",
          "value": 1.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.293
        }
      ]
    }
  ]

}
  

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


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