Data quality metrics extracted from 1g9a.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": "29ec36b96de10573f664cc269aae2807",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 75.92,
    "b": 123.24,
    "c": 95.90,
    "alpha": 90.00,
    "beta": 113.72,
    "gamma": 90.00
  },
  "wavelengths": [0.93000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.0],
    "number_observations_unique": 95973,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.063
      },
      {
        "type": "Completeness",
        "value": 84.5
      },
      {
        "type": "Redundancy",
        "value": 3.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.06,2.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.42
        },
        {
          "type": "Completeness",
          "value": 16.1
        }
      ]
    }
  ]

}
  

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


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