Data quality metrics extracted from 3u1c.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": "77576ade1fe7d95def3daf884fd930c2",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 76.654,
    "b": 76.654,
    "c": 79.693,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950,0.97720],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25,1.75],
    "number_observations_unique": 23590,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0757
      },
      {
        "type": "I/SigI",
        "value": 24.90
      },
      {
        "type": "Completeness",
        "value": 95.9
      },
      {
        "type": "Redundancy",
        "value": 17.76
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.85,1.75],
      "number_observations_unique": 3675,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4364
        },
        {
          "type": "I/SigI",
          "value": 4.59
        },
        {
          "type": "Completeness",
          "value": 94.8
        },
        {
          "type": "Redundancy",
          "value": 12.69
        }
      ]
    }
  ]

}
  

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


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