Data quality metrics extracted from 4wi1.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": "1ed13f21613362f54cd8da5ab489c0ec",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
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    "b": 91.34,
    "c": 110.91,
    "alpha": 90.00,
    "beta": 129.53,
    "gamma": 90.00
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 133468,
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        "type": "R(merge)",
        "value": 0.049
      },
      {
        "type": "R(meas)",
        "value": 0.056
      },
      {
        "type": "I/SigI",
        "value": 16.310
      },
      {
        "type": "Completeness",
        "value": 97.200
      },
      {
        "type": "Redundancy",
        "value": 4.1
      }
    ]
  },
  "refln_shells": [
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      "quality_factors": [
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          "value": 0.539
        },
        {
          "type": "R(meas)",
          "value": 0.615
        },
        {
          "type": "I/SigI",
          "value": 3.010
        },
        {
          "type": "Completeness",
          "value": 96.200
        },
        {
          "type": "Redundancy",
          "value": 4.2
        }
      ]
    },
    {
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      "number_observations_unique": 9513,
      "quality_factors": [
        {
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          "value": 0.403
        },
        {
          "type": "R(meas)",
          "value": 0.459
        },
        {
          "type": "I/SigI",
          "value": 3.930
        },
        {
          "type": "Completeness",
          "value": 96.600
        }
      ]
    },
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        },
        {
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        {
          "type": "I/SigI",
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        {
          "type": "Completeness",
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        }
      ]
    },
    {
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      "quality_factors": [
        {
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          "value": 0.233
        },
        {
          "type": "R(meas)",
          "value": 0.266
        },
        {
          "type": "I/SigI",
          "value": 6.370
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        {
          "type": "Completeness",
          "value": 96.800
        }
      ]
    },
    {
      "resolution_limits": [1.910,1.840],
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      "number_observations_unique": 8786,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.200
        },
        {
          "type": "R(meas)",
          "value": 0.229
        },
        {
          "type": "I/SigI",
          "value": 7.500
        },
        {
          "type": "Completeness",
          "value": 96.900
        }
      ]
    },
    {
      "resolution_limits": [1.970,1.910],
      "number_observations": 35270,
      "number_observations_unique": 8456,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.150
        },
        {
          "type": "R(meas)",
          "value": 0.172
        },
        {
          "type": "I/SigI",
          "value": 9.740
        },
        {
          "type": "Completeness",
          "value": 97.100
        }
      ]
    },
    {
      "resolution_limits": [2.050,1.970],
      "number_observations": 35457,
      "number_observations_unique": 8214,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "R(meas)",
          "value": 0.124
        },
        {
          "type": "I/SigI",
          "value": 12.420
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        {
          "type": "Completeness",
          "value": 97.400
        }
      ]
    },
    {
      "resolution_limits": [2.130,2.050],
      "number_observations": 33998,
      "number_observations_unique": 7912,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "R(meas)",
          "value": 0.100
        },
        {
          "type": "I/SigI",
          "value": 14.940
        },
        {
          "type": "Completeness",
          "value": 97.500
        }
      ]
    },
    {
      "resolution_limits": [2.220,2.130],
      "number_observations": 32604,
      "number_observations_unique": 7622,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "R(meas)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 17.460
        },
        {
          "type": "Completeness",
          "value": 97.700
        }
      ]
    },
    {
      "resolution_limits": [2.330,2.220],
      "number_observations": 29583,
      "number_observations_unique": 7235,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 19.330
        },
        {
          "type": "Completeness",
          "value": 97.400
        }
      ]
    },
    {
      "resolution_limits": [2.460,2.330],
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      "number_observations_unique": 6973,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "I/SigI",
          "value": 21.700
        },
        {
          "type": "Completeness",
          "value": 98.200
        }
      ]
    },
    {
      "resolution_limits": [2.610,2.460],
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      "number_observations_unique": 6609,
      "quality_factors": [
        {
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          "value": 0.050
        },
        {
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        {
          "type": "I/SigI",
          "value": 24.230
        },
        {
          "type": "Completeness",
          "value": 98.300
        }
      ]
    },
    {
      "resolution_limits": [2.790,2.610],
      "number_observations": 25865,
      "number_observations_unique": 6184,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.053
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        {
          "type": "I/SigI",
          "value": 26.070
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        {
          "type": "Completeness",
          "value": 98.400
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      ]
    },
    {
      "resolution_limits": [3.010,2.790],
      "number_observations": 24285,
      "number_observations_unique": 5827,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.048
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        {
          "type": "I/SigI",
          "value": 28.410
        },
        {
          "type": "Completeness",
          "value": 98.600
        }
      ]
    },
    {
      "resolution_limits": [3.300,3.010],
      "number_observations": 21800,
      "number_observations_unique": 5325,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 30.860
        },
        {
          "type": "Completeness",
          "value": 98.700
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      ]
    },
    {
      "resolution_limits": [3.690,3.300],
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      "number_observations_unique": 4855,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
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        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
          "value": 32.540
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        {
          "type": "Completeness",
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      ]
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    {
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      "number_observations_unique": 4280,
      "quality_factors": [
        {
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          "value": 0.034
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        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
          "value": 33.740
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        {
          "type": "Completeness",
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      ]
    },
    {
      "resolution_limits": [5.220,4.260],
      "number_observations": 14437,
      "number_observations_unique": 3593,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.032
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        {
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        {
          "type": "I/SigI",
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        {
          "type": "Completeness",
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      ]
    },
    {
      "resolution_limits": [7.380,5.220],
      "number_observations": 11587,
      "number_observations_unique": 2824,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 34.240
        },
        {
          "type": "Completeness",
          "value": 97.900
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      ]
    },
    {
      "resolution_limits": [50,7.380],
      "number_observations": 4760,
      "number_observations_unique": 1291,
      "quality_factors": [
        {
          "type": "R(merge)",
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        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 32.940
        },
        {
          "type": "Completeness",
          "value": 79.400
        }
      ]
    }
  ]

}
  

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


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