Data quality metrics extracted from 8tip.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": "32c189f7501d5c66e45dc214444e0af1",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 74.850,
    "b": 132.913,
    "c": 136.374,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.85,2.79],
    "number_observations_unique": 17285,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06383
      },
      {
        "type": "R(meas)",
        "value": 0.06888
      },
      {
        "type": "R(pim)",
        "value": 0.02563
      },
      {
        "type": "I/SigI",
        "value": 20.86
      },
      {
        "type": "Completeness",
        "value": 99.11
      },
      {
        "type": "Redundancy",
        "value": 7.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.89,2.79],
      "number_observations_unique": 1695,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.115
        },
        {
          "type": "R(meas)",
          "value": 1.199
        },
        {
          "type": "R(pim)",
          "value": 0.4398
        },
        {
          "type": "I/SigI",
          "value": 1.75
        },
        {
          "type": "Completeness",
          "value": 99.12
        },
        {
          "type": "Redundancy",
          "value": 7.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.77
        }
      ]
    }
  ]

}
  

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


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