Data quality metrics extracted from 1t6p.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": "e7360698756a12261635ef4bf50cdd27",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 105.192,
    "b": 180.973,
    "c": 149.215,
    "alpha": 90.000,
    "beta": 96.949,
    "gamma": 90.000
  },
  "wavelengths": [0.98065],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.1,2.70],
    "number_observations_unique": 146898,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.076
      },
      {
        "type": "I/SigI",
        "value": 14.14
      },
      {
        "type": "Completeness",
        "value": 95.6
      },
      {
        "type": "Redundancy",
        "value": 3.17
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.75,2.70],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.31
        },
        {
          "type": "I/SigI",
          "value": 3.87
        },
        {
          "type": "Completeness",
          "value": 80.6
        },
        {
          "type": "Redundancy",
          "value": 3.17
        }
      ]
    }
  ]

}
  

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


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