Data quality metrics extracted from 1d6a.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": "cdee65bce8b06a5c2230eba0f5c3d179",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 49.294,
    "b": 49.411,
    "c": 64.288,
    "alpha": 68.664,
    "beta": 81.036,
    "gamma": 63.870
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,2.1],
    "number_observations_unique": 26047,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 21.7
      },
      {
        "type": "Completeness",
        "value": 87.5
      },
      {
        "type": "Redundancy",
        "value": 1.71
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.17,2.10],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.158
        },
        {
          "type": "Completeness",
          "value": 80.2
        },
        {
          "type": "Redundancy",
          "value": 1.61
        }
      ]
    }
  ]

}
  

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


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