Data quality metrics extracted from 7gqg.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": "92dc06d6f1e1f3743382cced5a12d01a",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 42.770,
    "b": 62.510,
    "c": 147.154,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.59,1.30],
    "number_observations": 1062370,
    "number_observations_unique": 90638,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.114
      },
      {
        "type": "R(meas)",
        "value": 0.119
      },
      {
        "type": "R(pim)",
        "value": 0.033
      },
      {
        "type": "I/SigI",
        "value": 13.1
      },
      {
        "type": "Completeness",
        "value": 92.7
      },
      {
        "type": "Redundancy",
        "value": 11.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.32,1.30],
      "number_observations": 16345,
      "number_observations_unique": 2501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.595
        },
        {
          "type": "R(meas)",
          "value": 3.873
        },
        {
          "type": "R(pim)",
          "value": 1.408
        },
        {
          "type": "I/SigI",
          "value": 0.4
        },
        {
          "type": "Redundancy",
          "value": 6.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.194
        }
      ]
    }
  ]

}
  

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


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