Data quality metrics extracted from 3rax.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": "3b0d26ad14361be205cf60a67c0e3b3a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.880,
    "b": 61.645,
    "c": 92.684,
    "alpha": 98.50,
    "beta": 103.82,
    "gamma": 93.29
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,1.89],
    "number_observations_unique": 85563,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.043
      },
      {
        "type": "Completeness",
        "value": 95.9
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.93,1.89],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 79.0
        },
        {
          "type": "Redundancy",
          "value": 2.8
        }
      ]
    }
  ]

}
  

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


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