Data quality metrics extracted from 6ori.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": "903f0f82a41df143f818df54c068b0dd",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.85,
    "b": 49.96,
    "c": 51.24,
    "alpha": 107.36,
    "beta": 111.42,
    "gamma": 90.43
  },
  "wavelengths": [0.98010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.27,1.40],
    "number_observations_unique": 58580,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "I/SigI",
        "value": 15.1
      },
      {
        "type": "Completeness",
        "value": 85.4095
      },
      {
        "type": "Redundancy",
        "value": 3.17
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.42,1.40],
      "number_observations_unique": 410,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 78.80
        }
      ]
    }
  ]

}
  

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


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