Data quality metrics extracted from 6wuu.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": "5ac17f40e4764e64a4e3cc51c53f6599",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 58.425,
    "b": 189.693,
    "c": 63.118,
    "alpha": 90.00,
    "beta": 98.66,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [94.850,2.790],
    "number_observations": 237255,
    "number_observations_unique": 33589,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.158
      },
      {
        "type": "R(meas)",
        "value": 0.170
      },
      {
        "type": "R(pim)",
        "value": 0.064
      },
      {
        "type": "I/SigI",
        "value": 10.100
      },
      {
        "type": "Completeness",
        "value": 99.600
      },
      {
        "type": "Redundancy",
        "value": 7.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.930,2.790],
      "number_observations": 28852,
      "number_observations_unique": 4431,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.788
        },
        {
          "type": "R(meas)",
          "value": 1.944
        },
        {
          "type": "R(pim)",
          "value": 0.753
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 6.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.437
        }
      ]
    },
    {
      "resolution_limits": [94.850,9.250],
      "number_observations": 6681,
      "number_observations_unique": 953,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "R(pim)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 33.500
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 7.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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