Data quality metrics extracted from 5j4b.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": "51e119b3e01ec5d9b080c3a31d1c8ef1",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 210.24,
    "b": 450.36,
    "c": 625.28,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations": 6961850,
    "number_observations_unique": 1781049,
    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.120
      },
      {
        "type": "R(meas)",
        "value": 0.139
      },
      {
        "type": "I/SigI",
        "value": 8.800
      },
      {
        "type": "Completeness",
        "value": 99.300
      },
      {
        "type": "Redundancy",
        "value": 3.909
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 130853,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.256
        },
        {
          "type": "R(meas)",
          "value": 1.465
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.277
        }
      ]
    },
    {
      "resolution_limits": [2.740,2.670],
      "number_observations": 514156,
      "number_observations_unique": 128433,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.044
        },
        {
          "type": "R(meas)",
          "value": 1.201
        },
        {
          "type": "I/SigI",
          "value": 1.310
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.389
        }
      ]
    },
    {
      "resolution_limits": [2.820,2.740],
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      "number_observations_unique": 124956,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.836
        },
        {
          "type": "R(meas)",
          "value": 0.962
        },
        {
          "type": "I/SigI",
          "value": 1.650
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.493
        }
      ]
    },
    {
      "resolution_limits": [2.910,2.820],
      "number_observations": 487298,
      "number_observations_unique": 121346,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.629
        },
        {
          "type": "R(meas)",
          "value": 0.725
        },
        {
          "type": "I/SigI",
          "value": 2.190
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.626
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.910],
      "number_observations": 462324,
      "number_observations_unique": 117194,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.463
        },
        {
          "type": "R(meas)",
          "value": 0.534
        },
        {
          "type": "I/SigI",
          "value": 2.920
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.748
        }
      ]
    },
    {
      "resolution_limits": [3.110,3.000],
      "number_observations": 415503,
      "number_observations_unique": 112953,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.326
        },
        {
          "type": "R(meas)",
          "value": 0.380
        },
        {
          "type": "I/SigI",
          "value": 3.950
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.840
        }
      ]
    },
    {
      "resolution_limits": [3.220,3.110],
      "number_observations": 449947,
      "number_observations_unique": 109981,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.245
        },
        {
          "type": "R(meas)",
          "value": 0.282
        },
        {
          "type": "I/SigI",
          "value": 5.600
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.914
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      ]
    },
    {
      "resolution_limits": [3.360,3.220],
      "number_observations": 429859,
      "number_observations_unique": 105711,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.196
        },
        {
          "type": "R(meas)",
          "value": 0.225
        },
        {
          "type": "I/SigI",
          "value": 7.030
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.942
        }
      ]
    },
    {
      "resolution_limits": [3.510,3.360],
      "number_observations": 407570,
      "number_observations_unique": 101566,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.167
        },
        {
          "type": "R(meas)",
          "value": 0.192
        },
        {
          "type": "I/SigI",
          "value": 8.180
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.957
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      ]
    },
    {
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      "number_observations_unique": 96491,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "R(meas)",
          "value": 0.164
        },
        {
          "type": "I/SigI",
          "value": 9.510
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.967
        }
      ]
    },
    {
      "resolution_limits": [3.880,3.680],
      "number_observations": 334263,
      "number_observations_unique": 91538,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.117
        },
        {
          "type": "R(meas)",
          "value": 0.137
        },
        {
          "type": "I/SigI",
          "value": 11.130
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    },
    {
      "resolution_limits": [4.110,3.880],
      "number_observations": 351998,
      "number_observations_unique": 87400,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "R(meas)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 13.550
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [4.390,4.110],
      "number_observations": 324594,
      "number_observations_unique": 82123,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "R(meas)",
          "value": 0.101
        },
        {
          "type": "I/SigI",
          "value": 15.260
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
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      ]
    },
    {
      "resolution_limits": [4.750,4.390],
      "number_observations": 292872,
      "number_observations_unique": 76209,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "R(meas)",
          "value": 0.088
        },
        {
          "type": "I/SigI",
          "value": 16.840
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
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      ]
    },
    {
      "resolution_limits": [5.200,4.750],
      "number_observations": 252966,
      "number_observations_unique": 69265,
      "quality_factors": [
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        {
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        {
          "type": "I/SigI",
          "value": 17.940
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        {
          "type": "Completeness",
          "value": 97.900
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        {
          "type": "CC(1/2)",
          "value": 0.992
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      ]
    },
    {
      "resolution_limits": [5.810,5.200],
      "number_observations": 256002,
      "number_observations_unique": 63934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 20.030
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
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      ]
    },
    {
      "resolution_limits": [6.710,5.810],
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      "number_observations_unique": 56368,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.053
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        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
          "value": 20.370
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
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      ]
    },
    {
      "resolution_limits": [8.220,6.710],
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      "number_observations_unique": 47200,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
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        {
          "type": "R(meas)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 22.140
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
    },
    {
      "resolution_limits": [11.630,8.220],
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      "number_observations_unique": 37311,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 26.110
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [365.439,11.630],
      "number_observations": 75561,
      "number_observations_unique": 20217,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "R(meas)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 28.720
        },
        {
          "type": "Completeness",
          "value": 95.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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