Data quality metrics extracted from 7qsg.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": "9877c48d6dfda599d25180874a70b8d1",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 136.261,
    "b": 77.400,
    "c": 101.210,
    "alpha": 90.00,
    "beta": 106.49,
    "gamma": 90.00
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [66.59,2.75],
    "number_observations_unique": 26401,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03388
      },
      {
        "type": "R(meas)",
        "value": 0.04792
      },
      {
        "type": "R(pim)",
        "value": 0.03388
      },
      {
        "type": "I/SigI",
        "value": 9.97
      },
      {
        "type": "Completeness",
        "value": 99.62
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.848,2.75],
      "number_observations_unique": 2609,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5767
        },
        {
          "type": "R(meas)",
          "value": 0.8156
        },
        {
          "type": "R(pim)",
          "value": 0.5767
        },
        {
          "type": "I/SigI",
          "value": 1.42
        },
        {
          "type": "CC(1/2)",
          "value": 0.649
        }
      ]
    }
  ]

}
  

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


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