Data quality metrics extracted from 7zwb.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": "b3f7302b84731bae96e36cc069fc989b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.527,
    "b": 41.257,
    "c": 72.111,
    "alpha": 90.000,
    "beta": 104.608,
    "gamma": 90.000
  },
  "wavelengths": [1.03990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.136,1.48],
    "number_observations_unique": 38457,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.132
      },
      {
        "type": "R(meas)",
        "value": 0.167
      },
      {
        "type": "I/SigI",
        "value": 4.27
      },
      {
        "type": "Completeness",
        "value": 94.6
      },
      {
        "type": "Redundancy",
        "value": 2.55
      },
      {
        "type": "CC(1/2)",
        "value": 0.976
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.58,1.48],
      "number_observations_unique": 6720,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.661
        },
        {
          "type": "R(meas)",
          "value": 0.835
        },
        {
          "type": "I/SigI",
          "value": 1.02
        },
        {
          "type": "Completeness",
          "value": 93.6
        },
        {
          "type": "Redundancy",
          "value": 2.45
        },
        {
          "type": "CC(1/2)",
          "value": 0.568
        }
      ]
    }
  ]

}
  

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


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