Data quality metrics extracted from 8uxs.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": "03c34b03305d17f46892725b02bb4d94",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 44.381,
    "b": 88.165,
    "c": 88.512,
    "alpha": 90.00,
    "beta": 104.39,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.08,1.44],
    "number_observations_unique": 85458,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.064
      },
      {
        "type": "R(meas)",
        "value": 0.076
      },
      {
        "type": "R(pim)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 2967.5
      },
      {
        "type": "Completeness",
        "value": 70.05
      },
      {
        "type": "Redundancy",
        "value": 3.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.071,1.44],
      "number_observations_unique": 4409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1776
        },
        {
          "type": "R(meas)",
          "value": 0.2113
        },
        {
          "type": "R(pim)",
          "value": 0.1132
        },
        {
          "type": "I/SigI",
          "value": 3.20
        },
        {
          "type": "Completeness",
          "value": 99.48
        },
        {
          "type": "Redundancy",
          "value": 3.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.597
        }
      ]
    }
  ]

}
  

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


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