Data quality metrics extracted from 9bt3.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": "de0207537f91ed4d49c2f8e2471384ca",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 58.940,
    "b": 73.401,
    "c": 117.862,
    "alpha": 74.75,
    "beta": 82.21,
    "gamma": 77.39
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [113.32,2.50],
    "number_observations": 222497,
    "number_observations_unique": 63077,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.186
      },
      {
        "type": "R(meas)",
        "value": 0.219
      },
      {
        "type": "R(pim)",
        "value": 0.115
      },
      {
        "type": "I/SigI",
        "value": 5.7
      },
      {
        "type": "Completeness",
        "value": 98.3
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  }
}
  

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


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