Data quality metrics extracted from 2ifc.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": "2af775b4da02280c84ab859598f59d2e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 78.526,
    "b": 97.447,
    "c": 106.937,
    "alpha": 90.0,
    "beta": 93.1,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.380,1.700],
    "number_observations_unique": 170738,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09
      },
      {
        "type": "I/SigI",
        "value": 10.000
      },
      {
        "type": "Completeness",
        "value": 96.800
      },
      {
        "type": "Redundancy",
        "value": 6.190
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.70],
      "number_observations": 100678,
      "number_observations_unique": 16592,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.48
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 94.50
        },
        {
          "type": "Redundancy",
          "value": 6.03
        }
      ]
    }
  ]

}
  

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


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