Data quality metrics extracted from 9z9f.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": "ff2110e5e577eeb0681fd38fb313e0c3",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 66.533,
    "b": 113.846,
    "c": 118.767,
    "alpha": 114.16,
    "beta": 95.24,
    "gamma": 104.88
  },
  "wavelengths": [0.91972],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.66,3.06],
    "number_observations_unique": 55114,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.241
      },
      {
        "type": "R(meas)",
        "value": 0.284
      },
      {
        "type": "R(pim)",
        "value": 0.148
      },
      {
        "type": "I/SigI",
        "value": 4.4
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.975
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.25,3.06],
      "number_observations_unique": 8023,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.468
        },
        {
          "type": "R(meas)",
          "value": 1.721
        },
        {
          "type": "R(pim)",
          "value": 0.891
        },
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Completeness",
          "value": 98.9
        },
        {
          "type": "Redundancy",
          "value": 3.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.409
        }
      ]
    }
  ]

}
  

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


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