Data quality metrics extracted from 4os3.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": "fd4b59bf89465fa0acd51b048b9d2f7d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 42.25,
    "b": 46.25,
    "c": 47.78,
    "alpha": 68.89,
    "beta": 77.15,
    "gamma": 65.17
  },
  "wavelengths": [0.87000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.08,1.40],
    "number_observations_unique": 57481,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.031
      },
      {
        "type": "I/SigI",
        "value": 13.2
      },
      {
        "type": "Completeness",
        "value": 95.7
      },
      {
        "type": "Redundancy",
        "value": 3.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.48,1.40],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.40
        }
      ]
    }
  ]

}
  

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


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