Data quality metrics extracted from 9h34.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": "93f6a9c5ccf930ed39dcea81ab767a12",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 104.37,
    "b": 156.42,
    "c": 181.93,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00003],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.72,2.30],
    "number_observations_unique": 132501,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1021
      },
      {
        "type": "R(meas)",
        "value": 0.1031
      },
      {
        "type": "R(pim)",
        "value": 0.01401
      },
      {
        "type": "I/SigI",
        "value": 29.63
      },
      {
        "type": "Completeness",
        "value": 99.98
      },
      {
        "type": "Redundancy",
        "value": 54.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.33,2.30],
      "number_observations_unique": 4409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.39
        },
        {
          "type": "R(meas)",
          "value": 4.43
        },
        {
          "type": "R(pim)",
          "value": 0.5898
        },
        {
          "type": "I/SigI",
          "value": 0.98
        },
        {
          "type": "CC(1/2)",
          "value": 0.508
        }
      ]
    }
  ]

}
  

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


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