Data quality metrics extracted from 2pwh.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": "697a0815cfe923e68604826ca620f72f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 63.58,
    "b": 71.54,
    "c": 81.75,
    "alpha": 67.66,
    "beta": 73.04,
    "gamma": 70.44
  },
  "wavelengths": [0.98030],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.6,2.0],
    "number_observations_unique": 80624,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.078
      },
      {
        "type": "I/SigI",
        "value": 8.9
      },
      {
        "type": "Completeness",
        "value": 96.6
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  }
}
  

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


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