Data quality metrics extracted from 7qwd.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": "ebe46fb5735c454fdf5690d69ccc62a6",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 34.108,
    "b": 48.994,
    "c": 89.376,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.0,1.35],
    "number_observations_unique": 32660,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.4586
      },
      {
        "type": "R(meas)",
        "value": 0.4612
      },
      {
        "type": "R(pim)",
        "value": 0.04872
      },
      {
        "type": "I/SigI",
        "value": 11.11
      },
      {
        "type": "Completeness",
        "value": 97.52
      },
      {
        "type": "Redundancy",
        "value": 76.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.403,1.354],
      "number_observations_unique": 2788,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 10.61
        },
        {
          "type": "R(pim)",
          "value": 1.529
        },
        {
          "type": "I/SigI",
          "value": 0.25
        },
        {
          "type": "Completeness",
          "value": 85.21
        },
        {
          "type": "Redundancy",
          "value": 47.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.357
        }
      ]
    }
  ]

}
  

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


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