Data quality metrics extracted from 1uq4.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": "b3acac4a63c3dfe40a93463b0479e279",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 67.3,
    "b": 67.3,
    "c": 140.7,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.000,1.900],
    "number_observations_unique": 53233,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03800
      },
      {
        "type": "I/SigI",
        "value": 21.6000
      },
      {
        "type": "Completeness",
        "value": 86.0
      },
      {
        "type": "Redundancy",
        "value": 2.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.90],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13300
        },
        {
          "type": "I/SigI",
          "value": 4.700
        },
        {
          "type": "Completeness",
          "value": 44.0
        },
        {
          "type": "Redundancy",
          "value": 1.50
        }
      ]
    }
  ]

}
  

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


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