Data quality metrics extracted from 2c9m.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": "fc7510c9f92137266512f83948a570ad",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 64.948,
    "b": 81.276,
    "c": 131.006,
    "alpha": 97.64,
    "beta": 99.94,
    "gamma": 95.22
  },
  "wavelengths": [0.95040],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,3.000],
    "number_observations_unique": 41479,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06000
      },
      {
        "type": "I/SigI",
        "value": 12.1000
      },
      {
        "type": "Completeness",
        "value": 80.0
      },
      {
        "type": "Redundancy",
        "value": 1.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.07,3.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.34000
        },
        {
          "type": "I/SigI",
          "value": 2.300
        },
        {
          "type": "Completeness",
          "value": 40.0
        },
        {
          "type": "Redundancy",
          "value": 1.50
        }
      ]
    }
  ]

}
  

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


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