Data quality metrics extracted from 9z9c.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": "600cfffcf2f751a7155bbcb499395841",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 105.534,
    "b": 137.842,
    "c": 157.786,
    "alpha": 85.95,
    "beta": 77.63,
    "gamma": 86.88
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.02,2.30],
    "number_observations": 1327731,
    "number_observations_unique": 374646,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.208
      },
      {
        "type": "R(meas)",
        "value": 0.246
      },
      {
        "type": "R(pim)",
        "value": 0.130
      },
      {
        "type": "I/SigI",
        "value": 7.3
      },
      {
        "type": "Completeness",
        "value": 97.4
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.977
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.36,2.30],
      "number_observations": 96270,
      "number_observations_unique": 27683,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.008
        },
        {
          "type": "R(meas)",
          "value": 1.199
        },
        {
          "type": "R(pim)",
          "value": 0.640
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Redundancy",
          "value": 3.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.519
        }
      ]
    }
  ]

}
  

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


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