Data quality metrics extracted from 6uq0.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": "771610d5f2bf7058dfa4698c49890e42",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 167.897,
    "b": 223.273,
    "c": 193.139,
    "alpha": 90.00,
    "beta": 100.94,
    "gamma": 90.00
  },
  "wavelengths": [0.97665],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.700,3.560],
    "number_observations": 580773,
    "number_observations_unique": 83440,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.684
      },
      {
        "type": "R(meas)",
        "value": 0.740
      },
      {
        "type": "R(pim)",
        "value": 0.279
      },
      {
        "type": "I/SigI",
        "value": 3.700
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 7.000
      },
      {
        "type": "CC(1/2)",
        "value": 0.933
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.630,3.560],
      "number_observations": 32694,
      "number_observations_unique": 4552,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.794
        },
        {
          "type": "R(meas)",
          "value": 3.012
        },
        {
          "type": "R(pim)",
          "value": 1.120
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.303
        }
      ]
    }
  ]

}
  

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


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