Data quality metrics extracted from 1uwp.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": "9f11d2dd381d3c88806169ec61be5210",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 65.922,
    "b": 65.922,
    "c": 40.584,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.93930,0.97960],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,1.200],
    "number_observations_unique": 146753,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03500
      },
      {
        "type": "I/SigI",
        "value": 14.6000
      },
      {
        "type": "Completeness",
        "value": 98.3
      },
      {
        "type": "Redundancy",
        "value": 4.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.23,1.20],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19900
        },
        {
          "type": "I/SigI",
          "value": 4.500
        },
        {
          "type": "Completeness",
          "value": 94.4
        },
        {
          "type": "Redundancy",
          "value": 3.20
        }
      ]
    }
  ]

}
  

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


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