Data quality metrics extracted from 7s5b.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": "68009168c7243f4d6da00cc80daafd8b",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 92.226,
    "b": 92.226,
    "c": 108.436,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.03331],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.15,1.50],
    "number_observations_unique": 28231,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04556
      },
      {
        "type": "R(meas)",
        "value": 0.04949
      },
      {
        "type": "R(pim)",
        "value": 0.01904
      },
      {
        "type": "I/SigI",
        "value": 16.19
      },
      {
        "type": "Completeness",
        "value": 98.95
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.554,1.501],
      "number_observations_unique": 2735,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.61
        },
        {
          "type": "R(pim)",
          "value": 0.671
        },
        {
          "type": "I/SigI",
          "value": 1.37
        },
        {
          "type": "Completeness",
          "value": 97.35
        },
        {
          "type": "Redundancy",
          "value": 6.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.45
        }
      ]
    }
  ]

}
  

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


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