Data quality metrics extracted from 1f00.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": "3d0caf381bac6d92f895bd49f63aba58",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 52.16,
    "b": 47.10,
    "c": 71.66,
    "alpha": 90.0,
    "beta": 94.2,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,1.9],
    "number_observations_unique": 24955,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0970000
      },
      {
        "type": "I/SigI",
        "value": 15.1
      },
      {
        "type": "Completeness",
        "value": 90.7
      },
      {
        "type": "Redundancy",
        "value": 3.73
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.94,1.90],
      "number_observations_unique": 875,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2610000
        },
        {
          "type": "Completeness",
          "value": 51.5
        },
        {
          "type": "Redundancy",
          "value": 2.5
        }
      ]
    }
  ]

}
  

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


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