Data quality metrics extracted from 4w2h.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": "7e1c8fe3b906a0e1d910a9bb64d31ed8",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
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    "b": 446.95,
    "c": 619.78,
    "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": 1560047,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.183
      },
      {
        "type": "I/SigI",
        "value": 10.500
      },
      {
        "type": "Completeness",
        "value": 99.600
      },
      {
        "type": "Redundancy",
        "value": 6.749
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 114724,
      "quality_factors": [
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          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 2.033
        },
        {
          "type": "I/SigI",
          "value": 1.070
        },
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
      "resolution_limits": [2.850,2.770],
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      "number_observations_unique": 112271,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 1.597
        },
        {
          "type": "I/SigI",
          "value": 1.380
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.930,2.850],
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      "number_observations_unique": 109160,
      "quality_factors": [
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        },
        {
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        },
        {
          "type": "I/SigI",
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        },
        {
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          "value": 99.800
        }
      ]
    },
    {
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      "number_observations_unique": 105938,
      "quality_factors": [
        {
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        },
        {
          "type": "R(meas)",
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        },
        {
          "type": "I/SigI",
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        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [3.120,3.020],
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      "number_observations_unique": 102934,
      "quality_factors": [
        {
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          "value": 0.019
        },
        {
          "type": "R(meas)",
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        },
        {
          "type": "I/SigI",
          "value": 3.590
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.230,3.120],
      "number_observations": 694117,
      "number_observations_unique": 99435,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.469
        },
        {
          "type": "I/SigI",
          "value": 4.840
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [3.350,3.230],
      "number_observations": 661191,
      "number_observations_unique": 95784,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.377
        },
        {
          "type": "I/SigI",
          "value": 6.030
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [3.490,3.350],
      "number_observations": 623460,
      "number_observations_unique": 92309,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.323
        },
        {
          "type": "I/SigI",
          "value": 6.970
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [3.640,3.490],
      "number_observations": 576017,
      "number_observations_unique": 88212,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.270
        },
        {
          "type": "I/SigI",
          "value": 8.220
        },
        {
          "type": "Completeness",
          "value": 99.300
        }
      ]
    },
    {
      "resolution_limits": [3.820,3.640],
      "number_observations": 555566,
      "number_observations_unique": 84538,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.218
        },
        {
          "type": "I/SigI",
          "value": 10.120
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
      "resolution_limits": [4.020,3.820],
      "number_observations": 564723,
      "number_observations_unique": 80238,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.179
        },
        {
          "type": "I/SigI",
          "value": 12.650
        },
        {
          "type": "Completeness",
          "value": 99.200
        }
      ]
    },
    {
      "resolution_limits": [4.270,4.020],
      "number_observations": 528912,
      "number_observations_unique": 76203,
      "quality_factors": [
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          "value": 0.019
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        {
          "type": "R(meas)",
          "value": 0.151
        },
        {
          "type": "I/SigI",
          "value": 14.790
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
      "resolution_limits": [4.560,4.270],
      "number_observations": 484252,
      "number_observations_unique": 71586,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.126
        },
        {
          "type": "I/SigI",
          "value": 17.180
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
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      "number_observations_unique": 66864,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 19.160
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [5.400,4.930],
      "number_observations": 428947,
      "number_observations_unique": 61751,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 22.600
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [6.040,5.400],
      "number_observations": 391656,
      "number_observations_unique": 55909,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
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        },
        {
          "type": "I/SigI",
          "value": 24.350
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
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      "number_observations": 325692,
      "number_observations_unique": 49502,
      "quality_factors": [
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          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 24.920
        },
        {
          "type": "Completeness",
          "value": 99.700
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      ]
    },
    {
      "resolution_limits": [8.540,6.970],
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      "number_observations_unique": 41920,
      "quality_factors": [
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        {
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        {
          "type": "I/SigI",
          "value": 30.610
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        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [12.070,8.540],
      "number_observations": 223769,
      "number_observations_unique": 32736,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 38.190
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [254.666,12.070],
      "number_observations": 112960,
      "number_observations_unique": 18033,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 44.330
        },
        {
          "type": "Completeness",
          "value": 97.300
        }
      ]
    }
  ]

}
  

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


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