Data quality metrics extracted from 7y7u.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": "025e6ae7ca13542271bfaae5ac53da6e",
  "space_group_name": "P 41 3 2",
  "unit_cell": {
    "a": 166.51,
    "b": 166.51,
    "c": 166.51,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.18,1.89],
    "number_observations_unique": 63574,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1542
      },
      {
        "type": "R(meas)",
        "value": 0.1552
      },
      {
        "type": "R(pim)",
        "value": 0.01717
      },
      {
        "type": "I/SigI",
        "value": 31.63
      },
      {
        "type": "Completeness",
        "value": 99.97
      },
      {
        "type": "Redundancy",
        "value": 81.3
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.958,1.89],
      "number_observations_unique": 6220,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 6.561
        },
        {
          "type": "R(meas)",
          "value": 6.601
        },
        {
          "type": "R(pim)",
          "value": 0.7185
        },
        {
          "type": "I/SigI",
          "value": 0.71
        },
        {
          "type": "Completeness",
          "value": 99.98
        },
        {
          "type": "Redundancy",
          "value": 83.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.368
        }
      ]
    }
  ]

}
  

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


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