Data quality metrics extracted from 9f55.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": "afca763f575e3b341b8add1af275fcb5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 38.005,
    "b": 43.915,
    "c": 55.917,
    "alpha": 90.00,
    "beta": 94.05,
    "gamma": 90.00
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.91,1.55],
    "number_observations": 47738,
    "number_observations_unique": 26686,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.024
      },
      {
        "type": "R(meas)",
        "value": 0.034
      },
      {
        "type": "R(pim)",
        "value": 0.024
      },
      {
        "type": "I/SigI",
        "value": 16.1
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 1.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.58,1.55],
      "number_observations": 1859,
      "number_observations_unique": 1245,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "R(meas)",
          "value": 0.155
        },
        {
          "type": "R(pim)",
          "value": 0.110
        },
        {
          "type": "I/SigI",
          "value": 4.6
        },
        {
          "type": "Redundancy",
          "value": 1.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.963
        }
      ]
    }
  ]

}
  

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


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