Data quality metrics extracted from 7qi3.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": "6eb42d47850ae4e8131a7f72c1c3a998",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 72.580,
    "b": 76.880,
    "c": 92.544,
    "alpha": 76.22,
    "beta": 73.06,
    "gamma": 72.49
  },
  "wavelengths": [0.93930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [87.32,1.80],
    "number_observations_unique": 160393,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.4
      },
      {
        "type": "Completeness",
        "value": 96.5
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.83,1.80],
      "number_observations_unique": 6978,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.644
        }
      ]
    }
  ]

}
  

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


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