Data quality metrics extracted from 4wfc.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": "030be7b223ba47ac2f50bb961c04973c",
  "space_group_name": "P 41 2 2",
  "unit_cell": {
    "a": 98.397,
    "b": 98.397,
    "c": 208.018,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.87300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [88.950,2.350],
    "number_observations": 562480,
    "number_observations_unique": 43613,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.043
      },
      {
        "type": "I/SigI",
        "value": 16.600
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 12.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.430,2.350],
      "number_observations": 52231,
      "number_observations_unique": 4107,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(pim)",
          "value": 0.562
        },
        {
          "type": "I/SigI",
          "value": 1.600
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 12.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.586
        }
      ]
    },
    {
      "resolution_limits": [88.950,9.090],
      "number_observations": 9492,
      "number_observations_unique": 899,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.008
        },
        {
          "type": "I/SigI",
          "value": 72.500
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 10.600
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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