Data quality metrics extracted from 7psi.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": "c9064093aa34e12728a19e0326a1ad56",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 82.656,
    "b": 44.469,
    "c": 136.714,
    "alpha": 90.00,
    "beta": 97.61,
    "gamma": 90.00
  },
  "wavelengths": [0.91188],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.62,1.25],
    "number_observations_unique": 133814,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.6
      },
      {
        "type": "Completeness",
        "value": 98.4
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.27,1.25],
      "number_observations_unique": 6083,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.680
        }
      ]
    }
  ]

}
  

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


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