Data quality metrics extracted from 7b61.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": "1b6e4ff1a311ba6fb9e203b4c655d8ae",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 58.15,
    "b": 58.24,
    "c": 74.03,
    "alpha": 96.93,
    "beta": 91.27,
    "gamma": 105.20
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [73.38,1.57],
    "number_observations_unique": 124106,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 7.5
      },
      {
        "type": "Completeness",
        "value": 94.9
      },
      {
        "type": "Redundancy",
        "value": 1.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.65,1.57],
      "number_observations_unique": 18002,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.427
        }
      ]
    }
  ]

}
  

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


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