Data quality metrics extracted from 1tt8.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": "ce72347a9c3a9a00bfdd5959d9bf3606",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 31.315,
    "b": 33.849,
    "c": 39.776,
    "alpha": 67.57,
    "beta": 87.83,
    "gamma": 65.66
  },
  "wavelengths": [0.74690],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,0.92],
    "number_observations_unique": 88226,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "I/SigI",
        "value": 25.8
      },
      {
        "type": "Completeness",
        "value": 0.92
      },
      {
        "type": "Redundancy",
        "value": 4.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.94,0.92],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.262
        },
        {
          "type": "Completeness",
          "value": 0.86
        },
        {
          "type": "Redundancy",
          "value": 1.7
        }
      ]
    }
  ]

}
  

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


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