Data quality metrics extracted from 1tl1.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": "94d72b702b2a69158a5ad9b6598fb24c",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 137.5,
    "b": 115.3,
    "c": 65.4,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25,2.9],
    "number_observations_unique": 23603,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.052
      },
      {
        "type": "I/SigI",
        "value": 19.87
      },
      {
        "type": "Completeness",
        "value": 99.0
      },
      {
        "type": "Redundancy",
        "value": 3.75
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.97,2.9],
      "number_observations_unique": 1460,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.38
        },
        {
          "type": "I/SigI",
          "value": 2.45
        },
        {
          "type": "Completeness",
          "value": 92.3
        },
        {
          "type": "Redundancy",
          "value": 2.87
        }
      ]
    }
  ]

}
  

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


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