Data quality metrics extracted from 1pj1.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": "ad0e25b8ecaaaf26b11a6b7f6e57e696",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 74.1,
    "b": 84.2,
    "c": 114.7,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.00,1.95],
    "number_observations_unique": 51480,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 97.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,1.95],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.7
        }
      ]
    }
  ]

}
  

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


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