Data quality metrics extracted from 464d.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": "cd82f24227f211fec9ce11a4c69ae1f9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 26.375,
    "b": 28.995,
    "c": 28.995,
    "alpha": 110.37,
    "beta": 96.62,
    "gamma": 96.62
  },
  "wavelengths": [0.90490],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15.0,1.23],
    "number_observations_unique": 64180,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05
      },
      {
        "type": "Completeness",
        "value": 82.8
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.24,1.23],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.308
        },
        {
          "type": "Completeness",
          "value": 32.1
        }
      ]
    }
  ]

}
  

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


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