Data quality metrics extracted from 7p5a.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": "a8e8ec10e8a76f9421450382769a2121",
  "space_group_name": "I 21 3",
  "unit_cell": {
    "a": 129.396,
    "b": 129.396,
    "c": 129.396,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.75,1.95],
    "number_observations_unique": 26355,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1179
      },
      {
        "type": "R(meas)",
        "value": 0.1198
      },
      {
        "type": "R(pim)",
        "value": 0.0209
      },
      {
        "type": "I/SigI",
        "value": 32.36
      },
      {
        "type": "Completeness",
        "value": 99.89
      },
      {
        "type": "Redundancy",
        "value": 30.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.02,1.95],
      "number_observations_unique": 2584,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8387
        },
        {
          "type": "R(meas)",
          "value": 0.9312
        },
        {
          "type": "R(pim)",
          "value": 0.3875
        },
        {
          "type": "I/SigI",
          "value": 1.67
        },
        {
          "type": "Completeness",
          "value": 99.12
        },
        {
          "type": "Redundancy",
          "value": 5.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.614
        }
      ]
    }
  ]

}
  

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


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