Data quality metrics extracted from 2ptr.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": "f901c6a29f8c13c74eed18d04469e50c",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 98.40,
    "b": 143.19,
    "c": 69.45,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44,1.85],
    "number_observations_unique": 84140,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 6.8
      },
      {
        "type": "I/SigI",
        "value": 19.5
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 9.29
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.93,1.85],
      "number_observations_unique": 490,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 30.8
        },
        {
          "type": "I/SigI",
          "value": 5.6
        },
        {
          "type": "Completeness",
          "value": 97.1
        },
        {
          "type": "Redundancy",
          "value": 6.08
        }
      ]
    }
  ]

}
  

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


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