Data quality metrics extracted from 7en3.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": "512540aea664f88e2feb285ac5ae15f6",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 104.607,
    "b": 154.216,
    "c": 186.865,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97850],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.055,2.643],
    "number_observations_unique": 87655,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 20.57
      },
      {
        "type": "Completeness",
        "value": 98.44
      },
      {
        "type": "Redundancy",
        "value": 6.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.872
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.74,2.65],
      "number_observations_unique": 8775,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.841
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.74],
      "number_observations_unique": 8760,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.903
        }
      ]
    },
    {
      "resolution_limits": [2.98,2.85],
      "number_observations_unique": 8775,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.944
        }
      ]
    },
    {
      "resolution_limits": [3.14,2.98],
      "number_observations_unique": 8804,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [3.34,3.14],
      "number_observations_unique": 8816,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [3.60,3.34],
      "number_observations_unique": 8840,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [3.96,3.60],
      "number_observations_unique": 8844,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [4.53,3.96],
      "number_observations_unique": 8908,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [5.71,4.53],
      "number_observations_unique": 8973,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [50.0,5.71],
      "number_observations_unique": 9300,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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