Data quality metrics extracted from 5sjk.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": "36807d765d25bae6c0ede232f729913d",
  "space_group_name": "H 3",
  "unit_cell": {
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    "b": 134.878,
    "c": 234.027,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97820],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations": 212290,
    "number_observations_unique": 74972,
    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.058
      },
      {
        "type": "R(meas)",
        "value": 0.071
      },
      {
        "type": "I/SigI",
        "value": 12.880
      },
      {
        "type": "Completeness",
        "value": 98.100
      },
      {
        "type": "Redundancy",
        "value": 2.832
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
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      "resolution_limits": [2.300,2.240],
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      "number_observations_unique": 5269,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.823
        },
        {
          "type": "R(meas)",
          "value": 1.047
        },
        {
          "type": "I/SigI",
          "value": 1.370
        },
        {
          "type": "Completeness",
          "value": 92.500
        },
        {
          "type": "Redundancy",
          "value": 2.298
        },
        {
          "type": "CC(1/2)",
          "value": 0.439
        }
      ]
    },
    {
      "resolution_limits": [2.360,2.300],
      "number_observations": 13299,
      "number_observations_unique": 5375,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.627
        },
        {
          "type": "R(meas)",
          "value": 0.788
        },
        {
          "type": "I/SigI",
          "value": 1.680
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 2.474
        },
        {
          "type": "CC(1/2)",
          "value": 0.619
        }
      ]
    },
    {
      "resolution_limits": [2.430,2.360],
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      "number_observations_unique": 5179,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.503
        },
        {
          "type": "R(meas)",
          "value": 0.630
        },
        {
          "type": "I/SigI",
          "value": 2.120
        },
        {
          "type": "Completeness",
          "value": 97.400
        },
        {
          "type": "Redundancy",
          "value": 2.548
        },
        {
          "type": "CC(1/2)",
          "value": 0.728
        }
      ]
    },
    {
      "resolution_limits": [2.500,2.430],
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      "number_observations_unique": 5169,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.446
        },
        {
          "type": "R(meas)",
          "value": 0.560
        },
        {
          "type": "I/SigI",
          "value": 2.400
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 2.578
        },
        {
          "type": "CC(1/2)",
          "value": 0.754
        }
      ]
    },
    {
      "resolution_limits": [2.590,2.500],
      "number_observations": 12942,
      "number_observations_unique": 4911,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.324
        },
        {
          "type": "R(meas)",
          "value": 0.403
        },
        {
          "type": "I/SigI",
          "value": 3.330
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 2.635
        },
        {
          "type": "CC(1/2)",
          "value": 0.848
        }
      ]
    },
    {
      "resolution_limits": [2.680,2.590],
      "number_observations": 12900,
      "number_observations_unique": 4768,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.269
        },
        {
          "type": "R(meas)",
          "value": 0.333
        },
        {
          "type": "I/SigI",
          "value": 4.230
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 2.706
        },
        {
          "type": "CC(1/2)",
          "value": 0.894
        }
      ]
    },
    {
      "resolution_limits": [2.780,2.680],
      "number_observations": 12893,
      "number_observations_unique": 4672,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.219
        },
        {
          "type": "R(meas)",
          "value": 0.270
        },
        {
          "type": "I/SigI",
          "value": 5.110
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 2.760
        },
        {
          "type": "CC(1/2)",
          "value": 0.926
        }
      ]
    },
    {
      "resolution_limits": [2.890,2.780],
      "number_observations": 12584,
      "number_observations_unique": 4447,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.174
        },
        {
          "type": "R(meas)",
          "value": 0.214
        },
        {
          "type": "I/SigI",
          "value": 6.440
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 2.830
        },
        {
          "type": "CC(1/2)",
          "value": 0.960
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      ]
    },
    {
      "resolution_limits": [3.020,2.890],
      "number_observations": 12403,
      "number_observations_unique": 4304,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.140
        },
        {
          "type": "R(meas)",
          "value": 0.171
        },
        {
          "type": "I/SigI",
          "value": 8.130
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 2.882
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
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      ]
    },
    {
      "resolution_limits": [3.170,3.020],
      "number_observations": 12186,
      "number_observations_unique": 4129,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        },
        {
          "type": "R(meas)",
          "value": 0.130
        },
        {
          "type": "I/SigI",
          "value": 10.410
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 2.951
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        {
          "type": "CC(1/2)",
          "value": 0.984
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      ]
    },
    {
      "resolution_limits": [3.340,3.170],
      "number_observations": 11943,
      "number_observations_unique": 3954,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "R(meas)",
          "value": 0.095
        },
        {
          "type": "I/SigI",
          "value": 14.020
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.020
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.540,3.340],
      "number_observations": 11199,
      "number_observations_unique": 3655,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.069
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        {
          "type": "I/SigI",
          "value": 19.360
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 3.064
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.790,3.540],
      "number_observations": 10844,
      "number_observations_unique": 3473,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.056
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        {
          "type": "I/SigI",
          "value": 23.270
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        {
          "type": "Completeness",
          "value": 98.900
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        {
          "type": "Redundancy",
          "value": 3.122
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        {
          "type": "CC(1/2)",
          "value": 0.996
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      ]
    },
    {
      "resolution_limits": [4.090,3.790],
      "number_observations": 10248,
      "number_observations_unique": 3220,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
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        {
          "type": "R(meas)",
          "value": 0.045
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        {
          "type": "I/SigI",
          "value": 28.260
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        {
          "type": "Completeness",
          "value": 98.600
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        {
          "type": "Redundancy",
          "value": 3.183
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        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
    },
    {
      "resolution_limits": [4.480,4.090],
      "number_observations": 9567,
      "number_observations_unique": 2960,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "R(meas)",
          "value": 0.036
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        {
          "type": "I/SigI",
          "value": 32.800
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        {
          "type": "Completeness",
          "value": 99.500
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        {
          "type": "Redundancy",
          "value": 3.232
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        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
    },
    {
      "resolution_limits": [5.010,4.480],
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      "number_observations_unique": 2741,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.026
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        {
          "type": "R(meas)",
          "value": 0.032
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        {
          "type": "I/SigI",
          "value": 35.890
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        {
          "type": "Completeness",
          "value": 99.700
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        {
          "type": "Redundancy",
          "value": 3.247
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        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
    },
    {
      "resolution_limits": [5.780,5.010],
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      "number_observations_unique": 2363,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
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        {
          "type": "R(meas)",
          "value": 0.033
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        {
          "type": "I/SigI",
          "value": 34.930
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        {
          "type": "Completeness",
          "value": 99.300
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        {
          "type": "Redundancy",
          "value": 3.255
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        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
    },
    {
      "resolution_limits": [7.080,5.780],
      "number_observations": 6518,
      "number_observations_unique": 2009,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
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        {
          "type": "R(meas)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 35.420
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.244
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        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
    },
    {
      "resolution_limits": [10.020,7.080],
      "number_observations": 5050,
      "number_observations_unique": 1566,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.018
        },
        {
          "type": "R(meas)",
          "value": 0.022
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        {
          "type": "I/SigI",
          "value": 45.870
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.225
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [43.380,10.020],
      "number_observations": 2493,
      "number_observations_unique": 808,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.020
        },
        {
          "type": "R(meas)",
          "value": 0.024
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        {
          "type": "I/SigI",
          "value": 49.510
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        {
          "type": "Completeness",
          "value": 95.300
        },
        {
          "type": "Redundancy",
          "value": 3.085
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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