Data quality metrics extracted from 1skr.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": "8a0c58cb99738d3e52d52c7683af6783",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 105.506,
    "b": 214.020,
    "c": 52.036,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,2.4],
    "number_observations_unique": 44960,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.49,2.4],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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