Data quality metrics extracted from 9z83.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "37263885ecc94d8fb80f3a36e1f4cc63",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 47.926,
    "b": 128.419,
    "c": 64.505,
    "alpha": 90.00,
    "beta": 102.92,
    "gamma": 90.00
  },
  "wavelengths": [0.95373],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.92,2.10],
    "number_observations_unique": 43896,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03338
      },
      {
        "type": "R(meas)",
        "value": 0.04721
      },
      {
        "type": "R(pim)",
        "value": 0.03338
      },
      {
        "type": "I/SigI",
        "value": 10.12
      },
      {
        "type": "Completeness",
        "value": 99.19
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.18,2.1],
      "number_observations_unique": 4078,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.557
        },
        {
          "type": "R(meas)",
          "value": 0.788
        },
        {
          "type": "R(pim)",
          "value": 0.557
        },
        {
          "type": "I/SigI",
          "value": 0.98
        },
        {
          "type": "Completeness",
          "value": 93.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.604
        }
      ]
    }
  ]

}
  

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


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