Data quality metrics extracted from 1q6l.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": "1809dd3de4e0b1dfa7b24b9179741beb",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 122.963,
    "b": 41.931,
    "c": 91.457,
    "alpha": 90.00,
    "beta": 96.91,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [91.20,1.80],
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 5.6
      },
      {
        "type": "Completeness",
        "value": 91.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.86,1.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 3.2
        },
        {
          "type": "Completeness",
          "value": 77.8
        }
      ]
    }
  ]

}
  

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


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