Data quality metrics extracted from 9n5f.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": "04705ecbc69c51c8a5a9aad16d12f4eb",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 167.540,
    "b": 223.101,
    "c": 195.002,
    "alpha": 90.00,
    "beta": 100.38,
    "gamma": 90.00
  },
  "wavelengths": [0.99990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.22,3.60],
    "number_observations": 622175,
    "number_observations_unique": 81363,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.559
      },
      {
        "type": "R(meas)",
        "value": 0.600
      },
      {
        "type": "R(pim)",
        "value": 0.216
      },
      {
        "type": "I/SigI",
        "value": 4.4
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 7.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.984
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.67,3.60],
      "number_observations": 34496,
      "number_observations_unique": 4489,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 8.839
        },
        {
          "type": "R(meas)",
          "value": 9.478
        },
        {
          "type": "R(pim)",
          "value": 3.413
        },
        {
          "type": "I/SigI",
          "value": 0.4
        },
        {
          "type": "Redundancy",
          "value": 7.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.236
        }
      ]
    }
  ]

}
  

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


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