Data quality metrics extracted from 1df0.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": "7f866a7b0be4a1aa08718d0a44fc476a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.696,
    "b": 80.181,
    "c": 80.720,
    "alpha": 60.371,
    "beta": 70.848,
    "gamma": 79.486
  },
  "wavelengths": [0.92300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.6],
    "number_observations_unique": 227921,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0410000
      },
      {
        "type": "I/SigI",
        "value": 17.1
      },
      {
        "type": "Completeness",
        "value": 97.7
      },
      {
        "type": "Redundancy",
        "value": 3.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.69,2.6],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1100000
        },
        {
          "type": "Completeness",
          "value": 98.1
        },
        {
          "type": "Redundancy",
          "value": 2.91
        }
      ]
    }
  ]

}
  

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


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