Data quality metrics extracted from 3ffl.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": "3b32b1c496e6b660ab8b54c4b5c49f42",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.493,
    "b": 64.076,
    "c": 81.597,
    "alpha": 90.00,
    "beta": 95.23,
    "gamma": 90.00
  },
  "wavelengths": [0.97950,0.97956,0.97171],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.5,2.5],
    "number_observations_unique": 24411,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.565,2.5],
      "number_observations_unique": 1214,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    }
  ]

}
  

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


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