Data quality metrics extracted from 4wsd.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": "649a0f9f627ac18881e5192848f2a5a6",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 209.4,
    "b": 449.2,
    "c": 621.2,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [300,2.950],
    "number_observations": 90425707,
    "number_observations_unique": 1213341,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.300
      },
      {
        "type": "R(meas)",
        "value": 0.302
      },
      {
        "type": "I/SigI",
        "value": 18.670
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 74.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.050,2.950],
      "number_observations": 3316550,
      "number_observations_unique": 114461,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.193
        },
        {
          "type": "R(meas)",
          "value": 4.266
        },
        {
          "type": "I/SigI",
          "value": 1.130
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [3.100,3.050],
      "number_observations": 2709332,
      "number_observations_unique": 52041,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.813
        },
        {
          "type": "R(meas)",
          "value": 3.850
        },
        {
          "type": "I/SigI",
          "value": 1.820
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.200,3.100],
      "number_observations": 5949830,
      "number_observations_unique": 94488,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.044
        },
        {
          "type": "R(meas)",
          "value": 3.068
        },
        {
          "type": "I/SigI",
          "value": 2.540
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.300,3.200],
      "number_observations": 5666374,
      "number_observations_unique": 83463,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.361
        },
        {
          "type": "R(meas)",
          "value": 2.379
        },
        {
          "type": "I/SigI",
          "value": 3.480
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.400,3.300],
      "number_observations": 5503830,
      "number_observations_unique": 73888,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.952
        },
        {
          "type": "R(meas)",
          "value": 1.965
        },
        {
          "type": "I/SigI",
          "value": 4.600
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.500,3.400],
      "number_observations": 4859081,
      "number_observations_unique": 65799,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.605
        },
        {
          "type": "R(meas)",
          "value": 1.616
        },
        {
          "type": "I/SigI",
          "value": 5.530
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.600,3.500],
      "number_observations": 4465832,
      "number_observations_unique": 58643,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.315
        },
        {
          "type": "R(meas)",
          "value": 1.324
        },
        {
          "type": "I/SigI",
          "value": 6.820
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.800,3.600],
      "number_observations": 7675115,
      "number_observations_unique": 99706,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.950
        },
        {
          "type": "R(meas)",
          "value": 0.957
        },
        {
          "type": "I/SigI",
          "value": 9.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.800],
      "number_observations": 6048696,
      "number_observations_unique": 80827,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.661
        },
        {
          "type": "R(meas)",
          "value": 0.666
        },
        {
          "type": "I/SigI",
          "value": 12.810
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [10.000,4.000],
      "number_observations": 41028134,
      "number_observations_unique": 457724,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.221
        },
        {
          "type": "R(meas)",
          "value": 0.222
        },
        {
          "type": "I/SigI",
          "value": 34.770
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [15.000,10.000],
      "number_observations": 2274397,
      "number_observations_unique": 22627,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "R(meas)",
          "value": 0.079
        },
        {
          "type": "I/SigI",
          "value": 86.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [50.000,15.000],
      "number_observations": 921899,
      "number_observations_unique": 9461,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 99.770
        },
        {
          "type": "Completeness",
          "value": 98.700
        }
      ]
    },
    {
      "resolution_limits": [100.000,50.000],
      "number_observations": 6168,
      "number_observations_unique": 186,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 65.150
        },
        {
          "type": "Completeness",
          "value": 68.900
        }
      ]
    },
    {
      "resolution_limits": [300,100.000],
      "number_observations": 469,
      "number_observations_unique": 27,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 8.990
        },
        {
          "type": "Completeness",
          "value": 58.700
        }
      ]
    }
  ]

}
  

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


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