Data quality metrics extracted from 2f51.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": "7b070a5a76e41c39ad847fc2625060ab",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 33.882,
    "b": 33.923,
    "c": 50.497,
    "alpha": 106.20,
    "beta": 109.02,
    "gamma": 91.68
  },
  "wavelengths": [0.93300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.29,1.90],
    "number_observations_unique": 14428,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.038
      },
      {
        "type": "I/SigI",
        "value": 14.3
      },
      {
        "type": "Completeness",
        "value": 90.47
      },
      {
        "type": "Redundancy",
        "value": 1.88
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.90],
      "number_observations_unique": 1234,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 9.2
        },
        {
          "type": "Completeness",
          "value": 76.6
        },
        {
          "type": "Redundancy",
          "value": 1.79
        }
      ]
    }
  ]

}
  

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


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