Data quality metrics extracted from 4q1l.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": "b6aa6c205ffd6b542b79aec5cce5ded0",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 44.350,
    "b": 58.408,
    "c": 76.842,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.42500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.9],
    "number_observations_unique": 16352,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.90],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [4.09,1.97],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [50.0,4.09],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    }
  ]

}
  

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


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