Data quality metrics extracted from 2c9d.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": "b84e75ae61c46a9e360e8ea0995281f1",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 79.955,
    "b": 79.959,
    "c": 88.352,
    "alpha": 64.27,
    "beta": 64.39,
    "gamma": 62.81
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,2.800],
    "number_observations_unique": 77471,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.12000
      },
      {
        "type": "I/SigI",
        "value": 4.0000
      },
      {
        "type": "Completeness",
        "value": 84.0
      },
      {
        "type": "Redundancy",
        "value": 2.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.86,2.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.57000
        },
        {
          "type": "I/SigI",
          "value": 1.240
        },
        {
          "type": "Completeness",
          "value": 80.9
        },
        {
          "type": "Redundancy",
          "value": 2.00
        }
      ]
    }
  ]

}
  

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


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