Data quality metrics extracted from 9gd4.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": "b14f7633b7765312df845e60aab31a29",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 98.205,
    "b": 47.845,
    "c": 148.885,
    "alpha": 90.00,
    "beta": 103.29,
    "gamma": 90.00
  },
  "wavelengths": [0.87313],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [144.900,2.039],
    "number_observations_unique": 41902,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.304
      },
      {
        "type": "R(meas)",
        "value": 0.338
      },
      {
        "type": "R(pim)",
        "value": 0.145
      },
      {
        "type": "I/SigI",
        "value": 5.2
      },
      {
        "type": "Completeness",
        "value": 89.3
      },
      {
        "type": "Redundancy",
        "value": 5.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.973
      }
    ]
  }
}
  

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


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