Data quality metrics extracted from 4xk1.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": "face6a2f2f5c37a330e0569b390a9689",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
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    "b": 72.22,
    "c": 268.48,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97872],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 45360,
    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.044
      },
      {
        "type": "R(meas)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 26.240
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 7.3
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 3294,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.543
        },
        {
          "type": "R(meas)",
          "value": 0.584
        },
        {
          "type": "I/SigI",
          "value": 3.540
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.4
        }
      ]
    },
    {
      "resolution_limits": [2.270,2.210],
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      "number_observations_unique": 3237,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.417
        },
        {
          "type": "R(meas)",
          "value": 0.449
        },
        {
          "type": "I/SigI",
          "value": 4.610
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
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      "quality_factors": [
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        },
        {
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          "value": 0.339
        },
        {
          "type": "I/SigI",
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        {
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          "value": 100.000
        }
      ]
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    {
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      "quality_factors": [
        {
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          "value": 0.261
        },
        {
          "type": "R(meas)",
          "value": 0.280
        },
        {
          "type": "I/SigI",
          "value": 7.230
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        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
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      "number_observations_unique": 2945,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.202
        },
        {
          "type": "R(meas)",
          "value": 0.217
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        {
          "type": "I/SigI",
          "value": 9.280
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.570,2.480],
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      "number_observations_unique": 2857,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.163
        },
        {
          "type": "R(meas)",
          "value": 0.175
        },
        {
          "type": "I/SigI",
          "value": 11.290
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.670,2.570],
      "number_observations": 20346,
      "number_observations_unique": 2761,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "R(meas)",
          "value": 0.133
        },
        {
          "type": "I/SigI",
          "value": 14.380
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        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.780,2.670],
      "number_observations": 19778,
      "number_observations_unique": 2687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.098
        },
        {
          "type": "R(meas)",
          "value": 0.106
        },
        {
          "type": "I/SigI",
          "value": 18.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.900,2.780],
      "number_observations": 18832,
      "number_observations_unique": 2558,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "R(meas)",
          "value": 0.084
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        {
          "type": "I/SigI",
          "value": 22.320
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.040,2.900],
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      "number_observations_unique": 2433,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.070
        },
        {
          "type": "I/SigI",
          "value": 26.250
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.210,3.040],
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      "number_observations_unique": 2346,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "R(meas)",
          "value": 0.054
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        {
          "type": "I/SigI",
          "value": 33.790
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
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      "number_observations_unique": 2215,
      "quality_factors": [
        {
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          "value": 0.040
        },
        {
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          "value": 0.043
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        {
          "type": "I/SigI",
          "value": 41.320
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.630,3.400],
      "number_observations": 15085,
      "number_observations_unique": 2108,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 47.540
        },
        {
          "type": "Completeness",
          "value": 100.000
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      ]
    },
    {
      "resolution_limits": [3.930,3.630],
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      "number_observations_unique": 1953,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "R(meas)",
          "value": 0.032
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        {
          "type": "I/SigI",
          "value": 54.990
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.300,3.930],
      "number_observations": 12779,
      "number_observations_unique": 1821,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 57.770
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [4.810,4.300],
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      "number_observations_unique": 1670,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
          "value": 62.150
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        {
          "type": "Completeness",
          "value": 100.0
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      ]
    },
    {
      "resolution_limits": [5.550,4.810],
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      "number_observations_unique": 1465,
      "quality_factors": [
        {
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          "value": 0.024
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        {
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          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 62.000
        },
        {
          "type": "Completeness",
          "value": 99.900
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      ]
    },
    {
      "resolution_limits": [6.800,5.550],
      "number_observations": 8723,
      "number_observations_unique": 1259,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
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        {
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          "value": 0.023
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        {
          "type": "I/SigI",
          "value": 61.340
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        {
          "type": "Completeness",
          "value": 100.000
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      ]
    },
    {
      "resolution_limits": [9.620,6.800],
      "number_observations": 6670,
      "number_observations_unique": 1016,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.018
        },
        {
          "type": "R(meas)",
          "value": 0.020
        },
        {
          "type": "I/SigI",
          "value": 64.380
        },
        {
          "type": "Completeness",
          "value": 99.900
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      ]
    },
    {
      "resolution_limits": [50,9.620],
      "number_observations": 2994,
      "number_observations_unique": 557,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.018
        },
        {
          "type": "R(meas)",
          "value": 0.019
        },
        {
          "type": "I/SigI",
          "value": 60.450
        },
        {
          "type": "Completeness",
          "value": 91.500
        }
      ]
    }
  ]

}
  

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


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