Data quality metrics extracted from 4u4r.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
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  "version": "0.2.2",
  "uuid": "b9b4a6883b313c62b540468c92502405",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
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    "b": 287.69,
    "c": 304.39,
    "alpha": 90.00,
    "beta": 98.98,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 1806020,
    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.252
      },
      {
        "type": "R(meas)",
        "value": 0.260
      },
      {
        "type": "I/SigI",
        "value": 11.250
      },
      {
        "type": "Completeness",
        "value": 99.500
      },
      {
        "type": "Redundancy",
        "value": 11.25
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 172044,
      "quality_factors": [
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          "value": 2.204
        },
        {
          "type": "R(meas)",
          "value": 2.309
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 95.100
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.900],
      "number_observations": 2271207,
      "number_observations_unique": 157688,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 1.600
        },
        {
          "type": "R(meas)",
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        },
        {
          "type": "I/SigI",
          "value": 2.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
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      "quality_factors": [
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        },
        {
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        {
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          "value": 3.040
        },
        {
          "type": "Completeness",
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        }
      ]
    },
    {
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      "number_observations_unique": 121226,
      "quality_factors": [
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        },
        {
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        {
          "type": "I/SigI",
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        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
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      "number_observations_unique": 106999,
      "quality_factors": [
        {
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          "value": 0.648
        },
        {
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          "value": 0.671
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        {
          "type": "I/SigI",
          "value": 5.080
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
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      "number_observations_unique": 94753,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.526
        },
        {
          "type": "R(meas)",
          "value": 0.545
        },
        {
          "type": "I/SigI",
          "value": 6.080
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.600,3.400],
      "number_observations": 2370920,
      "number_observations_unique": 159580,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.412
        },
        {
          "type": "R(meas)",
          "value": 0.426
        },
        {
          "type": "I/SigI",
          "value": 7.770
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.600],
      "number_observations": 3480375,
      "number_observations_unique": 231314,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.267
        },
        {
          "type": "R(meas)",
          "value": 0.276
        },
        {
          "type": "I/SigI",
          "value": 11.480
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
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      "number_observations": 1485837,
      "number_observations_unique": 103457,
      "quality_factors": [
        {
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          "value": 0.186
        },
        {
          "type": "R(meas)",
          "value": 0.193
        },
        {
          "type": "I/SigI",
          "value": 15.170
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.500,4.250],
      "number_observations": 1213011,
      "number_observations_unique": 81799,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.159
        },
        {
          "type": "R(meas)",
          "value": 0.165
        },
        {
          "type": "I/SigI",
          "value": 17.610
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.750,4.500],
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      "number_observations_unique": 65505,
      "quality_factors": [
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          "value": 0.143
        },
        {
          "type": "R(meas)",
          "value": 0.148
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        {
          "type": "I/SigI",
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        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
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      "number_observations_unique": 53063,
      "quality_factors": [
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          "value": 0.131
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 21.070
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [8.000,5.000],
      "number_observations": 3566189,
      "number_observations_unique": 241686,
      "quality_factors": [
        {
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          "value": 0.110
        },
        {
          "type": "R(meas)",
          "value": 0.114
        },
        {
          "type": "I/SigI",
          "value": 23.930
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [9.000,8.000],
      "number_observations": 685273,
      "number_observations_unique": 23359,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.327
        },
        {
          "type": "R(meas)",
          "value": 0.333
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        {
          "type": "I/SigI",
          "value": 29.710
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        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [10.000,9.000],
      "number_observations": 465131,
      "number_observations_unique": 14930,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.266
        },
        {
          "type": "R(meas)",
          "value": 0.271
        },
        {
          "type": "I/SigI",
          "value": 32.810
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [50.000,10.000],
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      "number_observations_unique": 40216,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.158
        },
        {
          "type": "R(meas)",
          "value": 0.161
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        {
          "type": "I/SigI",
          "value": 36.640
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [200.000,50.000],
      "number_observations": 4741,
      "number_observations_unique": 343,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
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        {
          "type": "I/SigI",
          "value": 40.850
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        {
          "type": "Completeness",
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        }
      ]
    },
    {
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      "number_observations_unique": 3,
      "quality_factors": [
        {
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          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 32.060
        },
        {
          "type": "Completeness",
          "value": 60.000
        }
      ]
    },
    {
      "resolution_limits": [400.000,300.000],
      "number_observations": 2,
      "number_observations_unique": 1,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.007
        },
        {
          "type": "R(meas)",
          "value": 0.009
        },
        {
          "type": "I/SigI",
          "value": 17.430
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [300.66,400.000],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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