Data quality metrics extracted from 9c9n.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": "b16439bfb619790b07c8172172dfc68e",
  "space_group_name": "P 31",
  "unit_cell": {
    "a": 44.291,
    "b": 44.291,
    "c": 107.349,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.92010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.17,1.45],
    "number_observations_unique": 41408,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0917
      },
      {
        "type": "R(meas)",
        "value": 0.1004
      },
      {
        "type": "R(pim)",
        "value": 0.04069
      },
      {
        "type": "I/SigI",
        "value": 10.45
      },
      {
        "type": "Completeness",
        "value": 99.88
      },
      {
        "type": "Redundancy",
        "value": 5.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.506,1.454],
      "number_observations_unique": 4122,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6488
        },
        {
          "type": "R(meas)",
          "value": 0.7169
        },
        {
          "type": "R(pim)",
          "value": 0.3016
        },
        {
          "type": "I/SigI",
          "value": 2.14
        },
        {
          "type": "Completeness",
          "value": 99.11
        },
        {
          "type": "Redundancy",
          "value": 5.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.785
        }
      ]
    }
  ]

}
  

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


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