Data quality metrics extracted from 4qew.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": "ef835c4614314afa92a9c1ff139731d7",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 52.379,
    "b": 71.033,
    "c": 31.979,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.2,1.70],
    "number_observations_unique": 13007,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 15.2
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 6.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.70],
      "number_observations_unique": 683,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3987
        },
        {
          "type": "I/SigI",
          "value": 2.63
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 3.69
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.79],
      "number_observations_unique": 727,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3147
        },
        {
          "type": "I/SigI",
          "value": 3.69
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 4.37
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.92],
      "number_observations_unique": 679,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2114
        },
        {
          "type": "I/SigI",
          "value": 6.25
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 5.02
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.08],
      "number_observations_unique": 710,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1317
        },
        {
          "type": "I/SigI",
          "value": 10.56
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 5.49
        }
      ]
    },
    {
      "resolution_limits": [2.44,2.33],
      "number_observations_unique": 684,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1002
        },
        {
          "type": "I/SigI",
          "value": 15.06
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 6.25
        }
      ]
    },
    {
      "resolution_limits": [2.96,2.74],
      "number_observations_unique": 691,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0723
        },
        {
          "type": "I/SigI",
          "value": 23.11
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 7.72
        }
      ]
    },
    {
      "resolution_limits": [4.83,3.78],
      "number_observations_unique": 688,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0473
        },
        {
          "type": "I/SigI",
          "value": 40.87
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 9.61
        }
      ]
    },
    {
      "resolution_limits": [42.2,7.97],
      "number_observations_unique": 207,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0409
        },
        {
          "type": "I/SigI",
          "value": 45.75
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 10.24
        }
      ]
    }
  ]

}
  

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


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