Data quality metrics extracted from 4h6b.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": "1e51ba6ee92d8e0504713f962d6fe4a9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 67.420,
    "b": 67.513,
    "c": 161.879,
    "alpha": 84.36,
    "beta": 79.15,
    "gamma": 62.13
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.850,1.350],
    "number_observations_unique": 505495,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03100
      },
      {
        "type": "I/SigI",
        "value": 15.1000
      },
      {
        "type": "Completeness",
        "value": 92.8
      },
      {
        "type": "Redundancy",
        "value": 2.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.35],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.47800
        },
        {
          "type": "I/SigI",
          "value": 2.100
        },
        {
          "type": "Completeness",
          "value": 84.2
        }
      ]
    }
  ]

}
  

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


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