Data quality metrics extracted from 7jwx.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": "c2b75747ad0e088defa6681a9b7f1668",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 189.27,
    "b": 70.32,
    "c": 137.74,
    "alpha": 90.0,
    "beta": 133.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.0,2.38],
    "number_observations_unique": 52631,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "R(meas)",
        "value": 0.080
      },
      {
        "type": "I/SigI",
        "value": 13.40
      },
      {
        "type": "Completeness",
        "value": 98.51
      },
      {
        "type": "Redundancy",
        "value": 3.07
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.46,2.38],
      "number_observations_unique": 3703,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.269
        },
        {
          "type": "R(meas)",
          "value": 0.330
        },
        {
          "type": "I/SigI",
          "value": 4.0
        },
        {
          "type": "Completeness",
          "value": 93.60
        },
        {
          "type": "Redundancy",
          "value": 2.85
        },
        {
          "type": "CC(1/2)",
          "value": 0.928
        }
      ]
    }
  ]

}
  

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


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