Data quality metrics extracted from 9qag.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "e2fe53fc238b16c4722594f0afb24c87",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.539,
    "b": 47.813,
    "c": 50.407,
    "alpha": 113.297,
    "beta": 90.041,
    "gamma": 91.219
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.526,1.007],
    "number_observations_unique": 175900,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "R(pim)",
        "value": 0.034
      },
      {
        "type": "I/SigI",
        "value": 5.7
      },
      {
        "type": "Completeness",
        "value": 49.5
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.156,1.007],
      "number_observations_unique": 5226,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.777
        },
        {
          "type": "R(pim)",
          "value": 0.486
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.507
        }
      ]
    }
  ]

}
  

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


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