Data quality metrics extracted from 9fen.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": "cb011176718381613f17c576c353f160",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 111.90,
    "b": 51.48,
    "c": 55.63,
    "alpha": 90.0,
    "beta": 100.5,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.56],
    "number_observations_unique": 85128,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "R(meas)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 9.98
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "Redundancy",
        "value": 2.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.9990000000000001
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.65,1.56],
      "number_observations_unique": 13653,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.551
        },
        {
          "type": "R(meas)",
          "value": 1.8330000000000002
        },
        {
          "type": "CC(1/2)",
          "value": 0.27699999999999997
        }
      ]
    },
    {
      "resolution_limits": [1.77,1.65],
      "number_observations_unique": 12857,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.89
        },
        {
          "type": "R(meas)",
          "value": 1.051
        },
        {
          "type": "CC(1/2)",
          "value": 0.523
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.77],
      "number_observations_unique": 12061,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.45
        },
        {
          "type": "R(meas)",
          "value": 0.53
        },
        {
          "type": "CC(1/2)",
          "value": 0.825
        }
      ]
    },
    {
      "resolution_limits": [2.09,1.91],
      "number_observations_unique": 11023,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.233
        },
        {
          "type": "R(meas)",
          "value": 0.27699999999999997
        },
        {
          "type": "CC(1/2)",
          "value": 0.935
        }
      ]
    },
    {
      "resolution_limits": [2.34,2.09],
      "number_observations_unique": 10109,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "R(meas)",
          "value": 0.16
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [2.7,2.34],
      "number_observations_unique": 8925,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08199999999999999
        },
        {
          "type": "R(meas)",
          "value": 0.09699999999999999
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.3,2.70],
      "number_observations_unique": 7538,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.054000000000000006
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.66,3.30],
      "number_observations_unique": 5780,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028999999999999998
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    },
    {
      "resolution_limits": [50.0,4.66],
      "number_observations_unique": 3182,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.027999999999999997
        },
        {
          "type": "CC(1/2)",
          "value": 0.9990000000000001
        }
      ]
    }
  ]

}
  

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


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