Data quality metrics extracted from 9f4e.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": "33b6d28020de5b073f44cee961ed40ff",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 37.90,
    "b": 43.92,
    "c": 55.73,
    "alpha": 90.00,
    "beta": 94.05,
    "gamma": 90.00
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.59,1.57],
    "number_observations": 45691,
    "number_observations_unique": 24678,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.102
      },
      {
        "type": "R(meas)",
        "value": 0.144
      },
      {
        "type": "R(pim)",
        "value": 0.102
      },
      {
        "type": "I/SigI",
        "value": 9.1
      },
      {
        "type": "Completeness",
        "value": 96.4
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.982
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.60,1.57],
      "number_observations": 2269,
      "number_observations_unique": 1203,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.777
        },
        {
          "type": "R(meas)",
          "value": 1.099
        },
        {
          "type": "R(pim)",
          "value": 0.777
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Redundancy",
          "value": 1.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.469
        }
      ]
    }
  ]

}
  

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


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