Data quality metrics extracted from 9zan.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": "d9de7ed4227b07d05fa38977fe5cb6f8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 67.506,
    "b": 42.239,
    "c": 69.553,
    "alpha": 90.000,
    "beta": 98.977,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.5,1.1],
    "number_observations_unique": 290051,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1141
      },
      {
        "type": "R(meas)",
        "value": 0.1417
      },
      {
        "type": "R(pim)",
        "value": 0.08261
      },
      {
        "type": "I/SigI",
        "value": 5.75
      },
      {
        "type": "Completeness",
        "value": 94.10
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.954
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.11,1.1],
      "number_observations_unique": 10361,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2931
        },
        {
          "type": "R(meas)",
          "value": 0.3408
        },
        {
          "type": "R(pim)",
          "value": 0.173
        },
        {
          "type": "I/SigI",
          "value": 1.10
        },
        {
          "type": "Completeness",
          "value": 90.42
        },
        {
          "type": "Redundancy",
          "value": 3.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.876
        }
      ]
    }
  ]

}
  

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


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