Data quality metrics extracted from 9wiu.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "4e17b29bb9b1fe4e2ee7df57ac880c4b",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 84.393,
    "b": 160.067,
    "c": 200.964,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [200.96,2.04],
    "number_observations_unique": 172235,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.248
      },
      {
        "type": "R(meas)",
        "value": 0.269
      },
      {
        "type": "R(pim)",
        "value": 0.103
      },
      {
        "type": "I/SigI",
        "value": 6.8
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 13.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [200.96,11.17],
      "number_observations_unique": 1206,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "R(pim)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 15.2
        },
        {
          "type": "Completeness",
          "value": 98.8
        },
        {
          "type": "Redundancy",
          "value": 9.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [2.07,2.04],
      "number_observations_unique": 8501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 7.020
        },
        {
          "type": "R(meas)",
          "value": 7.703
        },
        {
          "type": "R(pim)",
          "value": 3.130
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 11.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.389
        }
      ]
    }
  ]

}
  

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


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