Data quality metrics extracted from 7uca.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": "456fae0ea85a9eb05c18251c5c076bd1",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.19,
    "b": 51.12,
    "c": 92.46,
    "alpha": 91.89,
    "beta": 103.04,
    "gamma": 109.82
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.54,1.1],
    "number_observations_unique": 277772,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 9.5
      },
      {
        "type": "Completeness",
        "value": 93.8
      },
      {
        "type": "Redundancy",
        "value": 3.78
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.14,1.10],
      "number_observations_unique": 97238,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.254
        },
        {
          "type": "Completeness",
          "value": 90.9
        }
      ]
    }
  ]

}
  

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


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