Data quality metrics extracted from 6w66.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": "c6587f4c8847dbfd55bcbbc2f0d04d59",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 183.665,
    "b": 183.665,
    "c": 55.370,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.11583],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [159.060,3.21],
    "number_observations_unique": 17752,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.289
      },
      {
        "type": "R(meas)",
        "value": 0.304
      },
      {
        "type": "R(pim)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 7.600
      },
      {
        "type": "Completeness",
        "value": 99.600
      },
      {
        "type": "Redundancy",
        "value": 10.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.430,3.210],
      "number_observations": 32010,
      "number_observations_unique": 3139,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.145
        },
        {
          "type": "R(meas)",
          "value": 4.363
        },
        {
          "type": "R(pim)",
          "value": 1.344
        },
        {
          "type": "I/SigI",
          "value": 0.700
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 10.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.452
        }
      ]
    },
    {
      "resolution_limits": [159.060,9.070],
      "number_observations": 8425,
      "number_observations_unique": 846,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "R(pim)",
          "value": 0.011
        },
        {
          "type": "I/SigI",
          "value": 52.500
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 10.000
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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