Data quality metrics extracted from 3hu1.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": "f09842461e722bdb153c99f9c72d8f5f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 92.756,
    "b": 103.279,
    "c": 107.688,
    "alpha": 97.66,
    "beta": 91.88,
    "gamma": 89.75
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.92,2.81],
    "number_observations_unique": 87240,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.050
      },
      {
        "type": "I/SigI",
        "value": 12.3
      }
    ]
  }
}
  

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


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