Data quality metrics extracted from 5hpw.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": "8f0797c0d94a82e2bfa4ad5fdac3f645",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 80.221,
    "b": 82.588,
    "c": 95.083,
    "alpha": 80.91,
    "beta": 73.71,
    "gamma": 89.96
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.5,2.5],
    "number_observations_unique": 73405,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 14.4
      },
      {
        "type": "Completeness",
        "value": 93.0
      },
      {
        "type": "Redundancy",
        "value": 2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.568,2.503],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 81.1
        }
      ]
    }
  ]

}
  

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


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