Data quality metrics extracted from 4wu1.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": "b2074d204c91fed078ee18978bceb3e0",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 210.0,
    "b": 451.5,
    "c": 616.7,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [300,3.200],
    "number_observations": 72141743,
    "number_observations_unique": 953301,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.369
      },
      {
        "type": "R(meas)",
        "value": 0.371
      },
      {
        "type": "I/SigI",
        "value": 14.090
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 75.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.300,3.200],
      "number_observations": 1866602,
      "number_observations_unique": 83588,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.775
        },
        {
          "type": "R(meas)",
          "value": 3.862
        },
        {
          "type": "I/SigI",
          "value": 1.110
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.400,3.300],
      "number_observations": 2642734,
      "number_observations_unique": 73964,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.431
        },
        {
          "type": "R(meas)",
          "value": 3.479
        },
        {
          "type": "I/SigI",
          "value": 1.540
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.450,3.400],
      "number_observations": 1455706,
      "number_observations_unique": 33888,
      "quality_factors": [
        {
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          "value": 3.253
        },
        {
          "type": "R(meas)",
          "value": 3.291
        },
        {
          "type": "I/SigI",
          "value": 1.880
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.500,3.450],
      "number_observations": 1593056,
      "number_observations_unique": 32009,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.098
        },
        {
          "type": "R(meas)",
          "value": 3.130
        },
        {
          "type": "I/SigI",
          "value": 2.180
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.600,3.500],
      "number_observations": 4185625,
      "number_observations_unique": 58641,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.020
        },
        {
          "type": "R(meas)",
          "value": 3.042
        },
        {
          "type": "I/SigI",
          "value": 2.800
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.800,3.600],
      "number_observations": 7668996,
      "number_observations_unique": 99881,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.255
        },
        {
          "type": "R(meas)",
          "value": 2.269
        },
        {
          "type": "I/SigI",
          "value": 4.020
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.800],
      "number_observations": 6374541,
      "number_observations_unique": 80838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.624
        },
        {
          "type": "R(meas)",
          "value": 1.634
        },
        {
          "type": "I/SigI",
          "value": 5.860
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [10.000,4.000],
      "number_observations": 43008167,
      "number_observations_unique": 458059,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.417
        },
        {
          "type": "R(meas)",
          "value": 0.418
        },
        {
          "type": "I/SigI",
          "value": 20.940
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [15.000,10.000],
      "number_observations": 2389174,
      "number_observations_unique": 22630,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "R(meas)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 71.180
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [50.000,15.000],
      "number_observations": 953561,
      "number_observations_unique": 9539,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 88.480
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
      "resolution_limits": [100.000,50.000],
      "number_observations": 3446,
      "number_observations_unique": 237,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.288
        },
        {
          "type": "R(meas)",
          "value": 0.299
        },
        {
          "type": "I/SigI",
          "value": 14.010
        },
        {
          "type": "Completeness",
          "value": 87.800
        }
      ]
    },
    {
      "resolution_limits": [300,100.000],
      "number_observations": 135,
      "number_observations_unique": 27,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 17.490
        },
        {
          "type": "Completeness",
          "value": 58.700
        }
      ]
    }
  ]

}
  

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


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