Data quality metrics extracted from 9gby.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": "a0c9b46bf13f6d51d8c75a1d40dd9726",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 90.57,
    "b": 75.37,
    "c": 37.43,
    "alpha": 90.000,
    "beta": 104.799,
    "gamma": 90.000
  },
  "wavelengths": [0.88560],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.17,1.50],
    "number_observations_unique": 38206,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03989
      },
      {
        "type": "R(pim)",
        "value": 0.01811
      },
      {
        "type": "I/SigI",
        "value": 15.01
      },
      {
        "type": "Completeness",
        "value": 98.47
      },
      {
        "type": "Redundancy",
        "value": 5.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.54,1.5],
      "number_observations_unique": 14438,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9433
        },
        {
          "type": "R(pim)",
          "value": 0.4242
        },
        {
          "type": "I/SigI",
          "value": 1.12
        },
        {
          "type": "Completeness",
          "value": 92.65
        },
        {
          "type": "Redundancy",
          "value": 5.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.697
        }
      ]
    }
  ]

}
  

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


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