Data quality metrics extracted from 9f5f.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": "116ba15a6efca5e42de7a8bff4a6641a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 37.977,
    "b": 43.898,
    "c": 55.937,
    "alpha": 90.00,
    "beta": 94.19,
    "gamma": 90.00
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.46,1.40],
    "number_observations": 62386,
    "number_observations_unique": 35726,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.058
      },
      {
        "type": "R(meas)",
        "value": 0.082
      },
      {
        "type": "R(pim)",
        "value": 0.058
      },
      {
        "type": "I/SigI",
        "value": 7.8
      },
      {
        "type": "Completeness",
        "value": 98.4
      },
      {
        "type": "Redundancy",
        "value": 1.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.42,1.40],
      "number_observations_unique": 1525,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4
        },
        {
          "type": "Completeness",
          "value": 85.4
        },
        {
          "type": "Redundancy",
          "value": 1.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.913
        }
      ]
    }
  ]

}
  

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


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