Data quality metrics extracted from 8qyf.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": "90ccc763c4b425e6e0c5e03550de8f4b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 94.963,
    "b": 123.158,
    "c": 126.244,
    "alpha": 90.00,
    "beta": 91.23,
    "gamma": 90.00
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.01,2.33],
    "number_observations_unique": 123893,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1265
      },
      {
        "type": "R(meas)",
        "value": 0.1368
      },
      {
        "type": "I/SigI",
        "value": 12.85
      },
      {
        "type": "Completeness",
        "value": 99.93
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.413,2.33],
      "number_observations_unique": 12335,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.56
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 6.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.606
        }
      ]
    }
  ]

}
  

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


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