Data quality metrics extracted from 4w2g.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": "3cfed711a616af8558719a9ee0b4dda2",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
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    "b": 449.01,
    "c": 621.98,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 1857656,
    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.139
      },
      {
        "type": "I/SigI",
        "value": 7.610
      },
      {
        "type": "Completeness",
        "value": 99.000
      },
      {
        "type": "Redundancy",
        "value": 3.723
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 137425,
      "quality_factors": [
        {
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          "value": 0.012
        },
        {
          "type": "R(meas)",
          "value": 1.480
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
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      "number_observations_unique": 134047,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.012
        },
        {
          "type": "R(meas)",
          "value": 1.204
        },
        {
          "type": "I/SigI",
          "value": 1.240
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [2.770,2.690],
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      "number_observations_unique": 130355,
      "quality_factors": [
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        },
        {
          "type": "R(meas)",
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        },
        {
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        },
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
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      "number_observations_unique": 125901,
      "quality_factors": [
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          "value": 0.012
        },
        {
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          "value": 0.774
        },
        {
          "type": "I/SigI",
          "value": 1.890
        },
        {
          "type": "Completeness",
          "value": 99.000
        }
      ]
    },
    {
      "resolution_limits": [2.940,2.850],
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      "number_observations_unique": 122388,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.012
        },
        {
          "type": "R(meas)",
          "value": 0.576
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        {
          "type": "I/SigI",
          "value": 2.460
        },
        {
          "type": "Completeness",
          "value": 99.100
        }
      ]
    },
    {
      "resolution_limits": [3.050,2.940],
      "number_observations": 419090,
      "number_observations_unique": 119086,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.012
        },
        {
          "type": "R(meas)",
          "value": 0.427
        },
        {
          "type": "I/SigI",
          "value": 3.530
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [3.160,3.050],
      "number_observations": 402275,
      "number_observations_unique": 114934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.012
        },
        {
          "type": "R(meas)",
          "value": 0.309
        },
        {
          "type": "I/SigI",
          "value": 4.840
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [3.290,3.160],
      "number_observations": 381981,
      "number_observations_unique": 110454,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.012
        },
        {
          "type": "R(meas)",
          "value": 0.246
        },
        {
          "type": "I/SigI",
          "value": 6.120
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [3.440,3.290],
      "number_observations": 358621,
      "number_observations_unique": 105563,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.012
        },
        {
          "type": "R(meas)",
          "value": 0.208
        },
        {
          "type": "I/SigI",
          "value": 7.210
        },
        {
          "type": "Completeness",
          "value": 99.000
        }
      ]
    },
    {
      "resolution_limits": [3.610,3.440],
      "number_observations": 314544,
      "number_observations_unique": 100163,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.012
        },
        {
          "type": "R(meas)",
          "value": 0.180
        },
        {
          "type": "I/SigI",
          "value": 8.060
        },
        {
          "type": "Completeness",
          "value": 98.400
        }
      ]
    },
    {
      "resolution_limits": [3.800,3.610],
      "number_observations": 330463,
      "number_observations_unique": 96215,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.012
        },
        {
          "type": "R(meas)",
          "value": 0.154
        },
        {
          "type": "I/SigI",
          "value": 9.990
        },
        {
          "type": "Completeness",
          "value": 99.200
        }
      ]
    },
    {
      "resolution_limits": [4.030,3.800],
      "number_observations": 310954,
      "number_observations_unique": 90955,
      "quality_factors": [
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          "value": 0.012
        },
        {
          "type": "R(meas)",
          "value": 0.133
        },
        {
          "type": "I/SigI",
          "value": 11.620
        },
        {
          "type": "Completeness",
          "value": 99.100
        }
      ]
    },
    {
      "resolution_limits": [4.310,4.030],
      "number_observations": 284340,
      "number_observations_unique": 84807,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.012
        },
        {
          "type": "R(meas)",
          "value": 0.117
        },
        {
          "type": "I/SigI",
          "value": 12.900
        },
        {
          "type": "Completeness",
          "value": 98.300
        }
      ]
    },
    {
      "resolution_limits": [4.660,4.310],
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      "number_observations_unique": 78688,
      "quality_factors": [
        {
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          "value": 0.012
        },
        {
          "type": "R(meas)",
          "value": 0.100
        },
        {
          "type": "I/SigI",
          "value": 14.170
        },
        {
          "type": "Completeness",
          "value": 97.700
        }
      ]
    },
    {
      "resolution_limits": [5.100,4.660],
      "number_observations": 239294,
      "number_observations_unique": 72916,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.012
        },
        {
          "type": "R(meas)",
          "value": 0.087
        },
        {
          "type": "I/SigI",
          "value": 15.550
        },
        {
          "type": "Completeness",
          "value": 98.400
        }
      ]
    },
    {
      "resolution_limits": [5.700,5.100],
      "number_observations": 228761,
      "number_observations_unique": 66269,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.012
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 17.100
        },
        {
          "type": "Completeness",
          "value": 98.700
        }
      ]
    },
    {
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      "number_observations": 198659,
      "number_observations_unique": 58753,
      "quality_factors": [
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        },
        {
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        },
        {
          "type": "I/SigI",
          "value": 17.170
        },
        {
          "type": "Completeness",
          "value": 98.900
        }
      ]
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    {
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      "number_observations_unique": 49194,
      "quality_factors": [
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          "value": 0.058
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        {
          "type": "I/SigI",
          "value": 19.040
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        {
          "type": "Completeness",
          "value": 97.600
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      ]
    },
    {
      "resolution_limits": [11.400,8.060],
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      "number_observations_unique": 38501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.012
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 22.910
        },
        {
          "type": "Completeness",
          "value": 98.200
        }
      ]
    },
    {
      "resolution_limits": [310.990,11.400],
      "number_observations": 69551,
      "number_observations_unique": 21042,
      "quality_factors": [
        {
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          "value": 0.012
        },
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 26.630
        },
        {
          "type": "Completeness",
          "value": 95.000
        }
      ]
    }
  ]

}
  

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


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