Data quality metrics extracted from 3hwn.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": "d9b5b28da6e22edb1ccc534b4a8466fd",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.07,
    "b": 62.80,
    "c": 67.97,
    "alpha": 105.34,
    "beta": 94.04,
    "gamma": 115.26
  },
  "wavelengths": [1.00000,1.00050],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.81,2.33],
    "number_observations_unique": 31593,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.098
      },
      {
        "type": "Completeness",
        "value": 91.7
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.39,2.33],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.209
        },
        {
          "type": "Completeness",
          "value": 81.9
        },
        {
          "type": "Redundancy",
          "value": 2.0
        }
      ]
    }
  ]

}
  

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


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