Data quality metrics extracted from 5rpp.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": "04f426ec42bb77adccd9f3dab3938dda",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 68.10,
    "b": 68.10,
    "c": 102.47,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.720,1.080],
    "number_observations": 85333,
    "number_observations_unique": 85333,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 10.500
      },
      {
        "type": "Completeness",
        "value": 83.100
      },
      {
        "type": "Redundancy",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.100,1.080],
      "number_observations": 826,
      "number_observations_unique": 826,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.700
        },
        {
          "type": "Completeness",
          "value": 16.300
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [56.720,5.930],
      "number_observations": 748,
      "number_observations_unique": 748,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 32.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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