Data quality metrics extracted from 3hxb.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": "a14a254a20554c0383cf639ebd77555e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 66.49,
    "b": 90.61,
    "c": 115.20,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98160],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,2.25],
    "number_observations_unique": 32922,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.052000
      },
      {
        "type": "I/SigI",
        "value": 18.03
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "Redundancy",
        "value": 4.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.35,2.25],
      "number_observations_unique": 4004,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.327000
        },
        {
          "type": "I/SigI",
          "value": 4.86
        },
        {
          "type": "Completeness",
          "value": 99.3
        },
        {
          "type": "Redundancy",
          "value": 4.8
        }
      ]
    }
  ]

}
  

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


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