Data quality metrics extracted from 9fd8.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": "31d44618988f4238fb265fb2bbf994a4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.084,
    "b": 72.470,
    "c": 70.885,
    "alpha": 90.0,
    "beta": 96.2,
    "gamma": 90.0
  },
  "wavelengths": [0.96550],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48,1.58],
    "number_observations_unique": 65329,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "R(meas)",
        "value": 0.101
      },
      {
        "type": "R(pim)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 7.2
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.61,1.58],
      "number_observations": 6512,
      "number_observations_unique": 2935,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.664
        },
        {
          "type": "R(meas)",
          "value": 0.862
        },
        {
          "type": "R(pim)",
          "value": 0.542
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Redundancy",
          "value": 2.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.455
        }
      ]
    }
  ]

}
  

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


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