Data quality metrics extracted from 3p5r.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": "8a7490a0f7dd763d0d74729d658af2da",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.050,
    "b": 201.980,
    "c": 81.431,
    "alpha": 90.0,
    "beta": 91.6,
    "gamma": 90.0
  },
  "wavelengths": [1.00800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.25],
    "number_observations_unique": 70530,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.130
      },
      {
        "type": "I/SigI",
        "value": 5.681
      },
      {
        "type": "Completeness",
        "value": 85.4
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.29,2.25],
      "number_observations_unique": 3524,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.454
        },
        {
          "type": "I/SigI",
          "value": 2.194
        },
        {
          "type": "Completeness",
          "value": 86.9
        },
        {
          "type": "Redundancy",
          "value": 1.9
        }
      ]
    }
  ]

}
  

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


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