Data quality metrics extracted from 6w2i.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": "afd03544e1d21d1d8ba2e200a3bb153e",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 31.164,
    "b": 31.164,
    "c": 40.530,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950,1.77000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.16,1.45],
    "number_observations_unique": 6875,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07658
      },
      {
        "type": "R(meas)",
        "value": 0.07961
      },
      {
        "type": "R(pim)",
        "value": 0.02153
      },
      {
        "type": "I/SigI",
        "value": 22.37
      },
      {
        "type": "Completeness",
        "value": 98.95
      },
      {
        "type": "Redundancy",
        "value": 13.4
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.502,1.45],
      "number_observations_unique": 680,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5901
        },
        {
          "type": "R(meas)",
          "value": 0.615
        },
        {
          "type": "R(pim)",
          "value": 0.1703
        },
        {
          "type": "I/SigI",
          "value": 4.34
        },
        {
          "type": "Completeness",
          "value": 97.84
        },
        {
          "type": "Redundancy",
          "value": 12.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.926
        }
      ]
    },
    {
      "resolution_limits": [1.968,1.9],
      "number_observations_unique": 292,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09135
        },
        {
          "type": "R(meas)",
          "value": 0.09335
        },
        {
          "type": "R(pim)",
          "value": 0.0189
        },
        {
          "type": "I/SigI",
          "value": 29.74
        },
        {
          "type": "Completeness",
          "value": 96.05
        },
        {
          "type": "Redundancy",
          "value": 24.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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