Data quality metrics extracted from 6ez1.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": "bb4d1689cffb8984e74c2296bf72bea8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 40.884,
    "b": 71.139,
    "c": 41.719,
    "alpha": 90.000,
    "beta": 110.334,
    "gamma": 90.000
  },
  "wavelengths": [0.91908],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.12,1.75],
    "number_observations_unique": 43032,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.112
      },
      {
        "type": "R(meas)",
        "value": 0.123
      },
      {
        "type": "R(pim)",
        "value": 0.050
      },
      {
        "type": "I/SigI",
        "value": 18.5
      },
      {
        "type": "Completeness",
        "value": 97.4
      },
      {
        "type": "Redundancy",
        "value": 6.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.79,1.75],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.577
        },
        {
          "type": "R(meas)",
          "value": 0.669
        },
        {
          "type": "R(pim)",
          "value": 0.327
        },
        {
          "type": "I/SigI",
          "value": 1.45
        },
        {
          "type": "Completeness",
          "value": 80
        },
        {
          "type": "Redundancy",
          "value": 4.1
        }
      ]
    }
  ]

}
  

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


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