Data quality metrics extracted from 4fqe.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": "75525ce339391a9e3a8c95b4c7830df9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 36.856,
    "b": 59.674,
    "c": 51.564,
    "alpha": 90.0,
    "beta": 106.8,
    "gamma": 90.0
  },
  "wavelengths": [1.00800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.36,1.93],
    "number_observations_unique": 16187,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 10.4549
      },
      {
        "type": "Completeness",
        "value": 99.94
      },
      {
        "type": "Redundancy",
        "value": 3.78
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.03,1.93],
      "number_observations": 8662,
      "number_observations_unique": 2329,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.39
        },
        {
          "type": "I/SigI",
          "value": 1.57
        },
        {
          "type": "Completeness",
          "value": 99.93
        },
        {
          "type": "Redundancy",
          "value": 3.72
        }
      ]
    },
    {
      "resolution_limits": [2.16,2.03],
      "number_observations": 8431,
      "number_observations_unique": 2234,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.31
        },
        {
          "type": "I/SigI",
          "value": 0.79
        },
        {
          "type": "Completeness",
          "value": 99.95
        },
        {
          "type": "Redundancy",
          "value": 3.77
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.16],
      "number_observations": 7953,
      "number_observations_unique": 2101,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.22
        },
        {
          "type": "I/SigI",
          "value": 1.98
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 3.79
        }
      ]
    },
    {
      "resolution_limits": [2.49,2.31],
      "number_observations": 7414,
      "number_observations_unique": 1946,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.15
        },
        {
          "type": "I/SigI",
          "value": 4.53
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 3.81
        }
      ]
    },
    {
      "resolution_limits": [2.73,2.49],
      "number_observations": 6856,
      "number_observations_unique": 1796,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12
        },
        {
          "type": "I/SigI",
          "value": 2.72
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 3.82
        }
      ]
    },
    {
      "resolution_limits": [3.05,2.73],
      "number_observations": 6254,
      "number_observations_unique": 1639,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "I/SigI",
          "value": 6.83
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 3.82
        }
      ]
    },
    {
      "resolution_limits": [3.52,3.05],
      "number_observations": 5471,
      "number_observations_unique": 1433,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 6.44
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 3.82
        }
      ]
    },
    {
      "resolution_limits": [4.32,3.52],
      "number_observations": 4634,
      "number_observations_unique": 1221,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "I/SigI",
          "value": 9.93
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 3.80
        }
      ]
    },
    {
      "resolution_limits": [6.10,4.32],
      "number_observations": 3608,
      "number_observations_unique": 957,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 17.98
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 3.77
        }
      ]
    },
    {
      "resolution_limits": [49.36,6.10],
      "number_observations": 1933,
      "number_observations_unique": 531,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 18.76
        },
        {
          "type": "Completeness",
          "value": 98.65
        },
        {
          "type": "Redundancy",
          "value": 3.64
        }
      ]
    }
  ]

}
  

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


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