Data quality metrics extracted from 4wqr.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": "04623de83fe175eed3462249e31362a1",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 210.1,
    "b": 448.8,
    "c": 621.3,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [250,3.150],
    "number_observations": 83596048,
    "number_observations_unique": 1000693,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.371
      },
      {
        "type": "R(meas)",
        "value": 0.373
      },
      {
        "type": "I/SigI",
        "value": 15.450
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 83.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.250,3.150],
      "number_observations": 4851142,
      "number_observations_unique": 88990,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.755
        },
        {
          "type": "R(meas)",
          "value": 4.798
        },
        {
          "type": "I/SigI",
          "value": 1.190
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.400,3.250],
      "number_observations": 7643842,
      "number_observations_unique": 114683,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.482
        },
        {
          "type": "R(meas)",
          "value": 3.508
        },
        {
          "type": "I/SigI",
          "value": 1.940
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.500,3.400],
      "number_observations": 5762761,
      "number_observations_unique": 65980,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.918
        },
        {
          "type": "R(meas)",
          "value": 2.935
        },
        {
          "type": "I/SigI",
          "value": 2.760
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.500],
      "number_observations": 20291710,
      "number_observations_unique": 239783,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.459
        },
        {
          "type": "R(meas)",
          "value": 1.466
        },
        {
          "type": "I/SigI",
          "value": 5.360
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.000],
      "number_observations": 20812327,
      "number_observations_unique": 238324,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.515
        },
        {
          "type": "R(meas)",
          "value": 0.518
        },
        {
          "type": "I/SigI",
          "value": 14.680
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [7.000,5.000],
      "number_observations": 15366737,
      "number_observations_unique": 159771,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.247
        },
        {
          "type": "R(meas)",
          "value": 0.248
        },
        {
          "type": "I/SigI",
          "value": 31.170
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [10.000,7.000],
      "number_observations": 5838466,
      "number_observations_unique": 60776,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        },
        {
          "type": "R(meas)",
          "value": 0.148
        },
        {
          "type": "I/SigI",
          "value": 49.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [20.000,10.000],
      "number_observations": 2649988,
      "number_observations_unique": 28292,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.098
        },
        {
          "type": "R(meas)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 65.920
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [50.000,20.000],
      "number_observations": 369916,
      "number_observations_unique": 3919,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "R(meas)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 76.440
        },
        {
          "type": "Completeness",
          "value": 97.900
        }
      ]
    },
    {
      "resolution_limits": [100.000,50.000],
      "number_observations": 9112,
      "number_observations_unique": 166,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "R(meas)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 55.180
        },
        {
          "type": "Completeness",
          "value": 61.500
        }
      ]
    },
    {
      "resolution_limits": [150.000,100.000],
      "number_observations": 38,
      "number_observations_unique": 8,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.137
        },
        {
          "type": "R(meas)",
          "value": 0.150
        },
        {
          "type": "I/SigI",
          "value": 13.820
        },
        {
          "type": "Completeness",
          "value": 25.800
        }
      ]
    },
    {
      "resolution_limits": [250,150.000],
      "number_observations": 9,
      "number_observations_unique": 1,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.207
        },
        {
          "type": "R(meas)",
          "value": 0.219
        },
        {
          "type": "I/SigI",
          "value": 19.310
        },
        {
          "type": "Completeness",
          "value": 6.700
        }
      ]
    }
  ]

}
  

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


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