Data quality metrics extracted from 2q1o.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": "db30b42aff934ec4300f376cccce0b1d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 22.90,
    "b": 32.06,
    "c": 42.93,
    "alpha": 96.24,
    "beta": 83.87,
    "gamma": 93.91
  },
  "wavelengths": [0.91990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.45,1.10],
    "number_observations_unique": 45791,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.059
      },
      {
        "type": "Completeness",
        "value": 93.9
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.14,1.10],
      "number_observations_unique": 4414,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.239
        },
        {
          "type": "Completeness",
          "value": 90.7
        },
        {
          "type": "Redundancy",
          "value": 2.6
        }
      ]
    }
  ]

}
  

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


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