Data quality metrics extracted from 4xoa.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": "eab4f995ab108722ce100c691bff4ef9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 56.530,
    "b": 77.624,
    "c": 78.107,
    "alpha": 101.54,
    "beta": 111.13,
    "gamma": 96.29
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.674,2.541],
    "number_observations_unique": 35539,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.135
      },
      {
        "type": "I/SigI",
        "value": 8.8
      },
      {
        "type": "Completeness",
        "value": 90.6
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.690,2.541],
      "number_observations_unique": 5844,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.564
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Redundancy",
          "value": 3.4
        }
      ]
    }
  ]

}
  

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


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