Data quality metrics extracted from 3q95.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": "e39f948ac55a5f58e7806627b3e920c2",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 56.528,
    "b": 81.865,
    "c": 58.886,
    "alpha": 90.00,
    "beta": 111.13,
    "gamma": 90.00
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.05],
    "number_observations_unique": 53026,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.13
      },
      {
        "type": "I/SigI",
        "value": 5.6
      },
      {
        "type": "Completeness",
        "value": 86
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.09,2.05],
      "number_observations_unique": 1158,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.51
        },
        {
          "type": "I/SigI",
          "value": 1
        },
        {
          "type": "Completeness",
          "value": 37.6
        },
        {
          "type": "Redundancy",
          "value": 1.1
        }
      ]
    }
  ]

}
  

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


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