Data quality metrics extracted from 6a73.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": "2c0d993aedcf2ee08bfe1ebc00f95329",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.804,
    "b": 70.164,
    "c": 81.350,
    "alpha": 107.03,
    "beta": 103.94,
    "gamma": 90.25
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.003,2.447],
    "number_observations_unique": 27516,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.025
      },
      {
        "type": "I/SigI",
        "value": 26.1
      },
      {
        "type": "Completeness",
        "value": 91.8
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.49,2.45],
      "number_observations_unique": 1305,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.189
        },
        {
          "type": "Completeness",
          "value": 87.6
        }
      ]
    }
  ]

}
  

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


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