Data quality metrics extracted from 8um3.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": "1cd7dee259c75f7e7d178c3f932e28a8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 53.644,
    "b": 69.588,
    "c": 57.552,
    "alpha": 90.00,
    "beta": 92.19,
    "gamma": 90.00
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [57.51,1.925],
    "number_observations_unique": 32130,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.184
      },
      {
        "type": "R(meas)",
        "value": 0.199
      },
      {
        "type": "R(pim)",
        "value": 0.076
      },
      {
        "type": "I/SigI",
        "value": 7.4
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.03,1.93],
      "number_observations": 32621,
      "number_observations_unique": 4613,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.902
        },
        {
          "type": "R(meas)",
          "value": 2.051
        },
        {
          "type": "R(pim)",
          "value": 0.764
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Redundancy",
          "value": 7.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.420
        }
      ]
    }
  ]

}
  

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


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