Data quality metrics extracted from 5um3.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": "06f258b2948a9d3912ff444dd5df88c1",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 29.177,
    "b": 29.375,
    "c": 66.052,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.62630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [17.62,1.198],
    "number_observations_unique": 18167,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09856
      },
      {
        "type": "R(pim)",
        "value": 0.03891
      },
      {
        "type": "I/SigI",
        "value": 17.87
      },
      {
        "type": "Completeness",
        "value": 98.10
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.241,1.198],
      "number_observations_unique": 1580,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.546
        },
        {
          "type": "R(pim)",
          "value": 0.3284
        },
        {
          "type": "I/SigI",
          "value": 1.61
        },
        {
          "type": "Completeness",
          "value": 86.43
        },
        {
          "type": "Redundancy",
          "value": 3.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.747
        }
      ]
    }
  ]

}
  

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


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