Data quality metrics extracted from 7gqo.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": "c9ec9c13334aac17a170fbd1bc96b541",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 42.764,
    "b": 61.273,
    "c": 147.204,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [61.31,1.58],
    "number_observations": 706156,
    "number_observations_unique": 54052,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.220
      },
      {
        "type": "R(meas)",
        "value": 0.229
      },
      {
        "type": "R(pim)",
        "value": 0.063
      },
      {
        "type": "I/SigI",
        "value": 3.5
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 13.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.61,1.58],
      "number_observations": 29075,
      "number_observations_unique": 2527,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.292
        },
        {
          "type": "R(meas)",
          "value": 3.447
        },
        {
          "type": "R(pim)",
          "value": 1.011
        },
        {
          "type": "I/SigI",
          "value": 0.1
        },
        {
          "type": "Redundancy",
          "value": 11.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.328
        }
      ]
    }
  ]

}
  

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


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