Data quality metrics extracted from 1pqp.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": "cc69555325d553f11cb2cf612815661d",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 113.949,
    "b": 55.059,
    "c": 57.832,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.91],
    "number_observations_unique": 27474,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.049
      },
      {
        "type": "I/SigI",
        "value": 29.7
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 10.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.98,1.91],
      "number_observations_unique": 2447,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.118
        },
        {
          "type": "I/SigI",
          "value": 13.4
        },
        {
          "type": "Completeness",
          "value": 85.8
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 50.000 1.980
High resolution limit [Å] 1.910 1.910
R(merge) 0.0490 0.1180
Completeness [%] 99.8 85.8
Multiplicity 10.4 -


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

Resolution [Å] R(merge) Completeness [%]
1.980-1.910 0.1180 85.8