Data quality metrics extracted from 5hjx.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": "ed3de034f9d2edba1e2fa9a25e6367d5",
  "space_group_name": "P 1",
  "unit_cell": {
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    "b": 100.25,
    "c": 100.38,
    "alpha": 113.06,
    "beta": 108.07,
    "gamma": 88.89
  },
  "wavelengths": [0.97970],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 208202,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.055
      },
      {
        "type": "R(meas)",
        "value": 0.078
      },
      {
        "type": "I/SigI",
        "value": 7.980
      },
      {
        "type": "Completeness",
        "value": 87.000
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 15537,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.385
        },
        {
          "type": "R(meas)",
          "value": 0.544
        },
        {
          "type": "I/SigI",
          "value": 1.900
        },
        {
          "type": "Completeness",
          "value": 87.600
        },
        {
          "type": "Redundancy",
          "value": 1.8
        }
      ]
    },
    {
      "resolution_limits": [1.900,1.850],
      "number_observations": 29770,
      "number_observations_unique": 15624,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.346
        },
        {
          "type": "R(meas)",
          "value": 0.489
        },
        {
          "type": "I/SigI",
          "value": 2.350
        },
        {
          "type": "Completeness",
          "value": 90.300
        }
      ]
    },
    {
      "resolution_limits": [1.950,1.900],
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      "number_observations_unique": 13896,
      "quality_factors": [
        {
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          "value": 0.323
        },
        {
          "type": "R(meas)",
          "value": 0.456
        },
        {
          "type": "I/SigI",
          "value": 2.750
        },
        {
          "type": "Completeness",
          "value": 82.900
        }
      ]
    },
    {
      "resolution_limits": [2.010,1.950],
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      "number_observations_unique": 14894,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.207
        },
        {
          "type": "R(meas)",
          "value": 0.293
        },
        {
          "type": "I/SigI",
          "value": 3.700
        },
        {
          "type": "Completeness",
          "value": 91.600
        }
      ]
    },
    {
      "resolution_limits": [2.080,2.010],
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      "number_observations_unique": 13319,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.179
        },
        {
          "type": "R(meas)",
          "value": 0.253
        },
        {
          "type": "I/SigI",
          "value": 4.370
        },
        {
          "type": "Completeness",
          "value": 84.400
        }
      ]
    },
    {
      "resolution_limits": [2.150,2.080],
      "number_observations": 24929,
      "number_observations_unique": 13675,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.144
        },
        {
          "type": "R(meas)",
          "value": 0.204
        },
        {
          "type": "I/SigI",
          "value": 5.020
        },
        {
          "type": "Completeness",
          "value": 89.300
        }
      ]
    },
    {
      "resolution_limits": [2.230,2.150],
      "number_observations": 23532,
      "number_observations_unique": 13114,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.118
        },
        {
          "type": "R(meas)",
          "value": 0.167
        },
        {
          "type": "I/SigI",
          "value": 5.730
        },
        {
          "type": "Completeness",
          "value": 88.600
        }
      ]
    },
    {
      "resolution_limits": [2.320,2.230],
      "number_observations": 22231,
      "number_observations_unique": 11629,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "R(meas)",
          "value": 0.152
        },
        {
          "type": "I/SigI",
          "value": 7.120
        },
        {
          "type": "Completeness",
          "value": 82.500
        }
      ]
    },
    {
      "resolution_limits": [2.430,2.320],
      "number_observations": 23677,
      "number_observations_unique": 12401,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "R(meas)",
          "value": 0.119
        },
        {
          "type": "I/SigI",
          "value": 8.320
        },
        {
          "type": "Completeness",
          "value": 91.100
        }
      ]
    },
    {
      "resolution_limits": [2.540,2.430],
      "number_observations": 21813,
      "number_observations_unique": 11521,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "R(meas)",
          "value": 0.103
        },
        {
          "type": "I/SigI",
          "value": 9.220
        },
        {
          "type": "Completeness",
          "value": 88.600
        }
      ]
    },
    {
      "resolution_limits": [2.680,2.540],
      "number_observations": 19773,
      "number_observations_unique": 10546,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.092
        },
        {
          "type": "I/SigI",
          "value": 10.140
        },
        {
          "type": "Completeness",
          "value": 85.600
        }
      ]
    },
    {
      "resolution_limits": [2.840,2.680],
      "number_observations": 17694,
      "number_observations_unique": 9854,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 11.040
        },
        {
          "type": "Completeness",
          "value": 83.900
        }
      ]
    },
    {
      "resolution_limits": [3.040,2.840],
      "number_observations": 18913,
      "number_observations_unique": 9894,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 12.740
        },
        {
          "type": "Completeness",
          "value": 89.500
        }
      ]
    },
    {
      "resolution_limits": [3.280,3.040],
      "number_observations": 17096,
      "number_observations_unique": 8904,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 14.100
        },
        {
          "type": "Completeness",
          "value": 87.500
        }
      ]
    },
    {
      "resolution_limits": [3.600,3.280],
      "number_observations": 15150,
      "number_observations_unique": 7962,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 15.160
        },
        {
          "type": "Completeness",
          "value": 84.700
        }
      ]
    },
    {
      "resolution_limits": [4.020,3.600],
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      "number_observations_unique": 6960,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
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        },
        {
          "type": "I/SigI",
          "value": 15.770
        },
        {
          "type": "Completeness",
          "value": 81.500
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      ]
    },
    {
      "resolution_limits": [4.650,4.020],
      "number_observations": 12054,
      "number_observations_unique": 6458,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 16.560
        },
        {
          "type": "Completeness",
          "value": 86.100
        }
      ]
    },
    {
      "resolution_limits": [5.690,4.650],
      "number_observations": 10730,
      "number_observations_unique": 5598,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.054
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        {
          "type": "I/SigI",
          "value": 16.870
        },
        {
          "type": "Completeness",
          "value": 88.400
        }
      ]
    },
    {
      "resolution_limits": [8.050,5.690],
      "number_observations": 7726,
      "number_observations_unique": 4135,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 16.660
        },
        {
          "type": "Completeness",
          "value": 84.100
        }
      ]
    },
    {
      "resolution_limits": [87.22,8.050],
      "number_observations": 4439,
      "number_observations_unique": 2281,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 17.740
        },
        {
          "type": "Completeness",
          "value": 84.400
        }
      ]
    }
  ]

}
  

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


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