Data quality metrics extracted from 9ifw.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "f883191c5954dc3bbfc745074c107828",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 43.660,
    "b": 79.510,
    "c": 112.785,
    "alpha": 90.00,
    "beta": 98.79,
    "gamma": 90.00
  },
  "wavelengths": [0.96546],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.52,1.74],
    "number_observations_unique": 75055,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.104
      },
      {
        "type": "R(meas)",
        "value": 0.131
      },
      {
        "type": "R(pim)",
        "value": 0.079
      },
      {
        "type": "I/SigI",
        "value": 5.0
      },
      {
        "type": "Completeness",
        "value": 97.1
      },
      {
        "type": "Redundancy",
        "value": 2.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.78,1.74],
      "number_observations": 9710,
      "number_observations_unique": 4050,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.055
        },
        {
          "type": "R(meas)",
          "value": 1.340
        },
        {
          "type": "R(pim)",
          "value": 0.815
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Redundancy",
          "value": 2.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.277
        }
      ]
    }
  ]

}
  

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


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