Data quality metrics extracted from 7h36.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": "c0c969f870750479de5e242e0c17ab53",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 86.368,
    "b": 56.571,
    "c": 32.353,
    "alpha": 90.00,
    "beta": 94.67,
    "gamma": 90.00
  },
  "wavelengths": [0.94055],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.28,1.36],
    "number_observations": 227242,
    "number_observations_unique": 33140,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.103
      },
      {
        "type": "R(meas)",
        "value": 0.112
      },
      {
        "type": "R(pim)",
        "value": 0.043
      },
      {
        "type": "I/SigI",
        "value": 11.4
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.970
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.38,1.36],
      "number_observations": 10057,
      "number_observations_unique": 1609,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.008
        },
        {
          "type": "R(meas)",
          "value": 2.192
        },
        {
          "type": "R(pim)",
          "value": 0.865
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Redundancy",
          "value": 6.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.268
        }
      ]
    }
  ]

}
  

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


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