Data quality metrics extracted from 9e2b.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": "aa4446495265aea0af748eaf8899713f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 74.507,
    "b": 74.593,
    "c": 92.348,
    "alpha": 98.21,
    "beta": 91.24,
    "gamma": 119.84
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.14,1.80],
    "number_observations": 568516,
    "number_observations_unique": 153832,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.089
      },
      {
        "type": "R(meas)",
        "value": 0.104
      },
      {
        "type": "R(pim)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 7.6
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.83,1.80],
      "number_observations": 28491,
      "number_observations_unique": 7559,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.254
        },
        {
          "type": "R(meas)",
          "value": 1.461
        },
        {
          "type": "R(pim)",
          "value": 0.746
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Redundancy",
          "value": 3.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.484
        }
      ]
    }
  ]

}
  

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


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