Data quality metrics extracted from 2r1s.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": "b135e7dc94c5a98b639efa7b59bae444",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 25.38,
    "b": 25.67,
    "c": 29.92,
    "alpha": 98.64,
    "beta": 105.43,
    "gamma": 100.67
  },
  "wavelengths": [0.91949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [14.1,1.4],
    "number_observations_unique": 12174,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.035
      },
      {
        "type": "I/SigI",
        "value": 19.4
      },
      {
        "type": "Completeness",
        "value": 91
      },
      {
        "type": "Redundancy",
        "value": 3.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.49,1.4],
      "number_observations_unique": 1310,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "I/SigI",
          "value": 8.8
        },
        {
          "type": "Completeness",
          "value": 67.2
        },
        {
          "type": "Redundancy",
          "value": 1.8
        }
      ]
    }
  ]

}
  

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


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