Data quality metrics extracted from 2fr0.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": "1ad735ec109138308b71c2c349a1aedf",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.211,
    "b": 46.332,
    "c": 61.506,
    "alpha": 94.73,
    "beta": 90.17,
    "gamma": 98.89
  },
  "wavelengths": [1.11580],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.6,1.81],
    "number_observations_unique": 40140,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.058
      },
      {
        "type": "I/SigI",
        "value": 8.1
      },
      {
        "type": "Completeness",
        "value": 93.7
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.89,1.81],
      "number_observations_unique": 4345,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.302
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 80.9
        },
        {
          "type": "Redundancy",
          "value": 1.6
        }
      ]
    }
  ]

}
  

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


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