Data quality metrics extracted from 8huw.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": "b96587731b7eb802cf79ce5ed7fb55ad",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 55.888,
    "b": 99.110,
    "c": 59.235,
    "alpha": 90.000,
    "beta": 108.609,
    "gamma": 90.000
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.43,1.75],
    "number_observations_unique": 55596,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 18.7
      },
      {
        "type": "Completeness",
        "value": 97.7
      },
      {
        "type": "Redundancy",
        "value": 6.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.84,1.75],
      "number_observations_unique": 5153,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.383
        }
      ]
    }
  ]

}
  

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


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