Data quality metrics extracted from 7b5j.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": "55fe3ccc970e4b652a60e767f8676687",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 39.791,
    "b": 67.103,
    "c": 42.240,
    "alpha": 90.000,
    "beta": 106.331,
    "gamma": 90.000
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.19,1.34],
    "number_observations_unique": 47804,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1588
      },
      {
        "type": "R(meas)",
        "value": 0.165
      },
      {
        "type": "R(pim)",
        "value": 0.04446
      },
      {
        "type": "I/SigI",
        "value": 10.28
      },
      {
        "type": "Completeness",
        "value": 99.98
      },
      {
        "type": "Redundancy",
        "value": 13.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.388,1.34],
      "number_observations_unique": 4740,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.688
        },
        {
          "type": "R(meas)",
          "value": 1.755
        },
        {
          "type": "R(pim)",
          "value": 0.475
        },
        {
          "type": "I/SigI",
          "value": 1.18
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 13.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.663
        }
      ]
    }
  ]

}
  

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


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