Data quality metrics extracted from 7qwc.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": "8f49ec98dde682ced79b19f9ec22d749",
  "space_group_name": "P 41",
  "unit_cell": {
    "a": 39.833,
    "b": 39.833,
    "c": 73.196,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.86,1.69],
    "number_observations_unique": 12804,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.008827
      },
      {
        "type": "R(meas)",
        "value": 0.09171
      },
      {
        "type": "R(pim)",
        "value": 0.02474
      },
      {
        "type": "I/SigI",
        "value": 13.32
      },
      {
        "type": "Completeness",
        "value": 99.85
      },
      {
        "type": "Redundancy",
        "value": 13.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.75,1.69],
      "number_observations_unique": 1265,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.694
        },
        {
          "type": "R(meas)",
          "value": 1.791
        },
        {
          "type": "R(pim)",
          "value": 0.5658
        },
        {
          "type": "I/SigI",
          "value": 0.46
        },
        {
          "type": "CC(1/2)",
          "value": 0.561
        }
      ]
    }
  ]

}
  

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


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