Data quality metrics extracted from 6pqh.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": "1e3635a8b1861a43cd9a9bad7d980ff9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
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    "b": 110.75,
    "c": 137.18,
    "alpha": 90.00,
    "beta": 97.09,
    "gamma": 90.00
  },
  "wavelengths": [0.97872],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 134701,
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        "type": "R(merge)",
        "value": 0.062
      },
      {
        "type": "R(meas)",
        "value": 0.071
      },
      {
        "type": "I/SigI",
        "value": 14.980
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 4.232
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 10023,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.575
        },
        {
          "type": "R(meas)",
          "value": 0.659
        },
        {
          "type": "I/SigI",
          "value": 2.550
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.236
        },
        {
          "type": "CC(1/2)",
          "value": 0.846
        }
      ]
    },
    {
      "resolution_limits": [2.110,2.050],
      "number_observations": 40746,
      "number_observations_unique": 9600,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.476
        },
        {
          "type": "R(meas)",
          "value": 0.547
        },
        {
          "type": "I/SigI",
          "value": 3.120
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.244
        },
        {
          "type": "CC(1/2)",
          "value": 0.890
        }
      ]
    },
    {
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      "number_observations_unique": 9445,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.381
        },
        {
          "type": "R(meas)",
          "value": 0.437
        },
        {
          "type": "I/SigI",
          "value": 3.870
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.244
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        {
          "type": "CC(1/2)",
          "value": 0.938
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      ]
    },
    {
      "resolution_limits": [2.240,2.170],
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      "number_observations_unique": 9121,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.315
        },
        {
          "type": "R(meas)",
          "value": 0.362
        },
        {
          "type": "I/SigI",
          "value": 4.680
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.248
        },
        {
          "type": "CC(1/2)",
          "value": 0.952
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.240],
      "number_observations": 37685,
      "number_observations_unique": 8867,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.253
        },
        {
          "type": "R(meas)",
          "value": 0.290
        },
        {
          "type": "I/SigI",
          "value": 5.750
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.250
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [2.390,2.310],
      "number_observations": 36506,
      "number_observations_unique": 8572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.213
        },
        {
          "type": "R(meas)",
          "value": 0.245
        },
        {
          "type": "I/SigI",
          "value": 6.820
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 4.259
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        {
          "type": "CC(1/2)",
          "value": 0.979
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      ]
    },
    {
      "resolution_limits": [2.480,2.390],
      "number_observations": 35278,
      "number_observations_unique": 8297,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.168
        },
        {
          "type": "R(meas)",
          "value": 0.193
        },
        {
          "type": "I/SigI",
          "value": 8.470
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.252
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.580,2.480],
      "number_observations": 33864,
      "number_observations_unique": 7950,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.147
        },
        {
          "type": "R(meas)",
          "value": 0.168
        },
        {
          "type": "I/SigI",
          "value": 9.550
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.260
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
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      ]
    },
    {
      "resolution_limits": [2.700,2.580],
      "number_observations": 32622,
      "number_observations_unique": 7680,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "R(meas)",
          "value": 0.140
        },
        {
          "type": "I/SigI",
          "value": 11.150
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.248
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
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      ]
    },
    {
      "resolution_limits": [2.830,2.700],
      "number_observations": 30908,
      "number_observations_unique": 7268,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.100
        },
        {
          "type": "R(meas)",
          "value": 0.114
        },
        {
          "type": "I/SigI",
          "value": 13.560
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 4.253
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        {
          "type": "CC(1/2)",
          "value": 0.995
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      ]
    },
    {
      "resolution_limits": [2.980,2.830],
      "number_observations": 29384,
      "number_observations_unique": 6938,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "R(meas)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 16.780
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.235
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.160,2.980],
      "number_observations": 27967,
      "number_observations_unique": 6603,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 20.140
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 4.235
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.380,3.160],
      "number_observations": 26294,
      "number_observations_unique": 6212,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.053
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        {
          "type": "I/SigI",
          "value": 24.430
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        {
          "type": "Completeness",
          "value": 99.900
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        {
          "type": "Redundancy",
          "value": 4.233
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        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [3.650,3.380],
      "number_observations": 24268,
      "number_observations_unique": 5755,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.041
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        {
          "type": "I/SigI",
          "value": 29.960
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        {
          "type": "Completeness",
          "value": 99.900
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        {
          "type": "Redundancy",
          "value": 4.217
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        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [4.000,3.650],
      "number_observations": 22357,
      "number_observations_unique": 5324,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.033
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        {
          "type": "I/SigI",
          "value": 33.930
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        {
          "type": "Completeness",
          "value": 99.800
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        {
          "type": "Redundancy",
          "value": 4.199
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        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
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    {
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      "number_observations_unique": 4823,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.024
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        {
          "type": "R(meas)",
          "value": 0.028
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        {
          "type": "I/SigI",
          "value": 39.430
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 4.198
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        {
          "type": "CC(1/2)",
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      ]
    },
    {
      "resolution_limits": [5.160,4.470],
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      "number_observations_unique": 4251,
      "quality_factors": [
        {
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          "value": 0.022
        },
        {
          "type": "R(meas)",
          "value": 0.026
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        {
          "type": "I/SigI",
          "value": 41.750
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        {
          "type": "Completeness",
          "value": 99.900
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        {
          "type": "Redundancy",
          "value": 4.210
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        {
          "type": "CC(1/2)",
          "value": 1.000
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      ]
    },
    {
      "resolution_limits": [6.320,5.160],
      "number_observations": 15067,
      "number_observations_unique": 3597,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.024
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        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 39.450
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        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.189
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        {
          "type": "CC(1/2)",
          "value": 1.000
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      ]
    },
    {
      "resolution_limits": [8.940,6.320],
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      "number_observations_unique": 2820,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "R(meas)",
          "value": 0.024
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        {
          "type": "I/SigI",
          "value": 40.990
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.124
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [35.567,8.940],
      "number_observations": 6024,
      "number_observations_unique": 1555,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.018
        },
        {
          "type": "R(meas)",
          "value": 0.021
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        {
          "type": "I/SigI",
          "value": 41.420
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 3.874
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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