Data quality metrics extracted from 5doy.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": "28528880f930d73070cea69ad81a1058",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 208.39,
    "b": 444.58,
    "c": 619.20,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations": 9880724,
    "number_observations_unique": 1725274,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.186
      },
      {
        "type": "R(meas)",
        "value": 0.205
      },
      {
        "type": "I/SigI",
        "value": 7.320
      },
      {
        "type": "Completeness",
        "value": 99.300
      },
      {
        "type": "Redundancy",
        "value": 5.727
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.670,2.600],
      "number_observations": 688804,
      "number_observations_unique": 127428,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.503
        },
        {
          "type": "R(meas)",
          "value": 1.666
        },
        {
          "type": "I/SigI",
          "value": 1.040
        },
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
      "resolution_limits": [2.740,2.670],
      "number_observations": 677584,
      "number_observations_unique": 124265,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.230
        },
        {
          "type": "R(meas)",
          "value": 1.362
        },
        {
          "type": "I/SigI",
          "value": 1.280
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [2.820,2.740],
      "number_observations": 618856,
      "number_observations_unique": 119298,
      "quality_factors": [
        {
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          "value": 0.996
        },
        {
          "type": "R(meas)",
          "value": 1.109
        },
        {
          "type": "I/SigI",
          "value": 1.530
        },
        {
          "type": "Completeness",
          "value": 98.300
        }
      ]
    },
    {
      "resolution_limits": [2.910,2.820],
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      "number_observations_unique": 117548,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.759
        },
        {
          "type": "R(meas)",
          "value": 0.834
        },
        {
          "type": "I/SigI",
          "value": 2.160
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.910],
      "number_observations": 675237,
      "number_observations_unique": 114049,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.566
        },
        {
          "type": "R(meas)",
          "value": 0.622
        },
        {
          "type": "I/SigI",
          "value": 2.900
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.110,3.000],
      "number_observations": 651427,
      "number_observations_unique": 110485,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.414
        },
        {
          "type": "R(meas)",
          "value": 0.455
        },
        {
          "type": "I/SigI",
          "value": 3.990
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.220,3.110],
      "number_observations": 624469,
      "number_observations_unique": 106425,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.321
        },
        {
          "type": "R(meas)",
          "value": 0.353
        },
        {
          "type": "I/SigI",
          "value": 5.150
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [3.360,3.220],
      "number_observations": 585619,
      "number_observations_unique": 102395,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.266
        },
        {
          "type": "R(meas)",
          "value": 0.294
        },
        {
          "type": "I/SigI",
          "value": 6.200
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [3.510,3.360],
      "number_observations": 529697,
      "number_observations_unique": 96654,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.238
        },
        {
          "type": "R(meas)",
          "value": 0.263
        },
        {
          "type": "I/SigI",
          "value": 6.930
        },
        {
          "type": "Completeness",
          "value": 98.000
        }
      ]
    },
    {
      "resolution_limits": [3.680,3.510],
      "number_observations": 571611,
      "number_observations_unique": 94148,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.209
        },
        {
          "type": "R(meas)",
          "value": 0.229
        },
        {
          "type": "I/SigI",
          "value": 8.470
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.880,3.680],
      "number_observations": 537312,
      "number_observations_unique": 89634,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.182
        },
        {
          "type": "R(meas)",
          "value": 0.200
        },
        {
          "type": "I/SigI",
          "value": 9.900
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [4.110,3.880],
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      "number_observations_unique": 84627,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.163
        },
        {
          "type": "R(meas)",
          "value": 0.180
        },
        {
          "type": "I/SigI",
          "value": 11.060
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [4.390,4.110],
      "number_observations": 448255,
      "number_observations_unique": 79489,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.147
        },
        {
          "type": "R(meas)",
          "value": 0.163
        },
        {
          "type": "I/SigI",
          "value": 12.120
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
      "resolution_limits": [4.750,4.390],
      "number_observations": 402038,
      "number_observations_unique": 72742,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "R(meas)",
          "value": 0.146
        },
        {
          "type": "I/SigI",
          "value": 13.300
        },
        {
          "type": "Completeness",
          "value": 97.600
        }
      ]
    },
    {
      "resolution_limits": [5.200,4.750],
      "number_observations": 406787,
      "number_observations_unique": 68386,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.123
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 14.710
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [5.810,5.200],
      "number_observations": 365221,
      "number_observations_unique": 61893,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "R(meas)",
          "value": 0.124
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        {
          "type": "I/SigI",
          "value": 15.380
        },
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
      "resolution_limits": [6.710,5.810],
      "number_observations": 301083,
      "number_observations_unique": 53896,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "R(meas)",
          "value": 0.114
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        {
          "type": "I/SigI",
          "value": 14.910
        },
        {
          "type": "Completeness",
          "value": 97.900
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      ]
    },
    {
      "resolution_limits": [8.220,6.710],
      "number_observations": 281129,
      "number_observations_unique": 46175,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
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          "value": 0.093
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        {
          "type": "I/SigI",
          "value": 17.480
        },
        {
          "type": "Completeness",
          "value": 99.000
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      ]
    },
    {
      "resolution_limits": [11.630,8.220],
      "number_observations": 215358,
      "number_observations_unique": 36143,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(meas)",
          "value": 0.070
        },
        {
          "type": "I/SigI",
          "value": 19.870
        },
        {
          "type": "Completeness",
          "value": 99.300
        }
      ]
    },
    {
      "resolution_limits": [361.136,11.630],
      "number_observations": 112488,
      "number_observations_unique": 19594,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "R(meas)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 22.740
        },
        {
          "type": "Completeness",
          "value": 95.500
        }
      ]
    }
  ]

}
  

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


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