Data quality metrics extracted from 9dmc.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": "bd5489509b3f0b0d8b9f6d7128141ce7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.456,
    "b": 74.906,
    "c": 85.115,
    "alpha": 98.31,
    "beta": 105.04,
    "gamma": 105.38
  },
  "wavelengths": [1.18000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.77,3.00],
    "number_observations": 67358,
    "number_observations_unique": 18710,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.062
      },
      {
        "type": "R(meas)",
        "value": 0.072
      },
      {
        "type": "R(pim)",
        "value": 0.037
      },
      {
        "type": "I/SigI",
        "value": 15.1
      },
      {
        "type": "Completeness",
        "value": 93.9
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  }
}
  

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


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