Data quality metrics extracted from 7st3.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": "7178c22aa5ed869f8db87f78e44d3134",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 117.796,
    "b": 118.041,
    "c": 273.507,
    "alpha": 102.449,
    "beta": 102.452,
    "gamma": 89.998
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.48,2.78],
    "number_observations_unique": 340982,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.76
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 1.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.88,2.78],
      "number_observations_unique": 29320,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.916
        }
      ]
    }
  ]

}
  

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


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