Data quality metrics extracted from 5czp.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": "261222ebb79bb9a6063cae5663422006",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 210.89,
    "b": 450.12,
    "c": 620.82,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97890],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 866742,
    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.272
      },
      {
        "type": "R(meas)",
        "value": 0.301
      },
      {
        "type": "I/SigI",
        "value": 5.260
      },
      {
        "type": "Completeness",
        "value": 98.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
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      "number_observations_unique": 64001,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.079
        },
        {
          "type": "R(meas)",
          "value": 2.319
        },
        {
          "type": "I/SigI",
          "value": 0.840
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.213
        }
      ]
    },
    {
      "resolution_limits": [3.480,3.390],
      "number_observations": 352092,
      "number_observations_unique": 62687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.631
        },
        {
          "type": "R(meas)",
          "value": 1.805
        },
        {
          "type": "I/SigI",
          "value": 1.090
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.289
        }
      ]
    },
    {
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      "number_observations_unique": 61073,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.347
        },
        {
          "type": "R(meas)",
          "value": 1.492
        },
        {
          "type": "I/SigI",
          "value": 1.320
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.376
        }
      ]
    },
    {
      "resolution_limits": [3.690,3.580],
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      "number_observations_unique": 59106,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.080
        },
        {
          "type": "R(meas)",
          "value": 1.197
        },
        {
          "type": "I/SigI",
          "value": 1.650
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.491
        }
      ]
    },
    {
      "resolution_limits": [3.810,3.690],
      "number_observations": 313785,
      "number_observations_unique": 57294,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.859
        },
        {
          "type": "R(meas)",
          "value": 0.953
        },
        {
          "type": "I/SigI",
          "value": 2.070
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.588
        }
      ]
    },
    {
      "resolution_limits": [3.940,3.810],
      "number_observations": 297774,
      "number_observations_unique": 55407,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.681
        },
        {
          "type": "R(meas)",
          "value": 0.757
        },
        {
          "type": "I/SigI",
          "value": 2.600
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.691
        }
      ]
    },
    {
      "resolution_limits": [4.090,3.940],
      "number_observations": 267613,
      "number_observations_unique": 53130,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.576
        },
        {
          "type": "R(meas)",
          "value": 0.644
        },
        {
          "type": "I/SigI",
          "value": 2.990
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.743
        }
      ]
    },
    {
      "resolution_limits": [4.260,4.090],
      "number_observations": 275634,
      "number_observations_unique": 51251,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.464
        },
        {
          "type": "R(meas)",
          "value": 0.515
        },
        {
          "type": "I/SigI",
          "value": 3.780
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.826
        }
      ]
    },
    {
      "resolution_limits": [4.450,4.260],
      "number_observations": 276953,
      "number_observations_unique": 49469,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.378
        },
        {
          "type": "R(meas)",
          "value": 0.418
        },
        {
          "type": "I/SigI",
          "value": 4.680
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.884
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      ]
    },
    {
      "resolution_limits": [4.670,4.450],
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      "number_observations_unique": 47279,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.316
        },
        {
          "type": "R(meas)",
          "value": 0.350
        },
        {
          "type": "I/SigI",
          "value": 5.570
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.914
        }
      ]
    },
    {
      "resolution_limits": [4.920,4.670],
      "number_observations": 245431,
      "number_observations_unique": 44863,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.276
        },
        {
          "type": "R(meas)",
          "value": 0.306
        },
        {
          "type": "I/SigI",
          "value": 6.360
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.929
        }
      ]
    },
    {
      "resolution_limits": [5.220,4.920],
      "number_observations": 224779,
      "number_observations_unique": 42232,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.234
        },
        {
          "type": "R(meas)",
          "value": 0.260
        },
        {
          "type": "I/SigI",
          "value": 7.350
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.947
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      ]
    },
    {
      "resolution_limits": [5.580,5.220],
      "number_observations": 197170,
      "number_observations_unique": 39276,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.202
        },
        {
          "type": "R(meas)",
          "value": 0.225
        },
        {
          "type": "I/SigI",
          "value": 8.100
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.958
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      ]
    },
    {
      "resolution_limits": [6.020,5.580],
      "number_observations": 208931,
      "number_observations_unique": 37269,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.185
        },
        {
          "type": "R(meas)",
          "value": 0.204
        },
        {
          "type": "I/SigI",
          "value": 9.280
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        {
          "type": "Completeness",
          "value": 99.000
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        {
          "type": "CC(1/2)",
          "value": 0.966
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      ]
    },
    {
      "resolution_limits": [6.600,6.020],
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      "number_observations_unique": 34181,
      "quality_factors": [
        {
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        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
          "value": 9.850
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        {
          "type": "Completeness",
          "value": 98.700
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        {
          "type": "CC(1/2)",
          "value": 0.971
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      ]
    },
    {
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      "number_observations_unique": 30822,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "R(meas)",
          "value": 0.158
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        {
          "type": "I/SigI",
          "value": 11.350
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
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      ]
    },
    {
      "resolution_limits": [8.520,7.380],
      "number_observations": 131706,
      "number_observations_unique": 26725,
      "quality_factors": [
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          "type": "R(merge)",
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        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
          "value": 12.650
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        {
          "type": "Completeness",
          "value": 96.000
        },
        {
          "type": "CC(1/2)",
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      ]
    },
    {
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      "number_observations_unique": 23168,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "R(meas)",
          "value": 0.109
        },
        {
          "type": "I/SigI",
          "value": 15.530
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
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      ]
    },
    {
      "resolution_limits": [14.760,10.440],
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      "number_observations_unique": 17910,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "R(meas)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 17.590
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [49.93,14.760],
      "number_observations": 47898,
      "number_observations_unique": 9599,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 19.390
        },
        {
          "type": "Completeness",
          "value": 91.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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