Data quality metrics extracted from 7gzz.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": "de5e766ba445aed4724cdbd807074eb3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 38.311,
    "b": 33.142,
    "c": 64.407,
    "alpha": 90.00,
    "beta": 101.59,
    "gamma": 90.00
  },
  "wavelengths": [0.92120],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [63.094,1.166],
    "number_observations": 189581,
    "number_observations_unique": 38838,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.047
      },
      {
        "type": "R(meas)",
        "value": 0.052
      },
      {
        "type": "R(pim)",
        "value": 0.022
      },
      {
        "type": "I/SigI",
        "value": 15.1
      },
      {
        "type": "Completeness",
        "value": 71.4
      },
      {
        "type": "Redundancy",
        "value": 4.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.276,1.166],
      "number_observations": 3709,
      "number_observations_unique": 1942,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.244
        },
        {
          "type": "R(meas)",
          "value": 0.316
        },
        {
          "type": "R(pim)",
          "value": 0.198
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Redundancy",
          "value": 1.9
        }
      ]
    }
  ]

}
  

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


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