Data quality metrics extracted from 5c3l.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": "b10c4bb0a8e2e27d86926a2a064267c0",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 167.57,
    "b": 167.57,
    "c": 142.72,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97864],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations": 5534630,
    "number_observations_unique": 49303,
    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.235
      },
      {
        "type": "R(meas)",
        "value": 0.236
      },
      {
        "type": "I/SigI",
        "value": 39.440
      },
      {
        "type": "Completeness",
        "value": 98.800
      },
      {
        "type": "Redundancy",
        "value": 101
      }
    ]
  },
  "refln_shells": [
    {
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      "number_observations_unique": 2058,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 6.106
        },
        {
          "type": "R(meas)",
          "value": 6.123
        },
        {
          "type": "I/SigI",
          "value": 1.660
        },
        {
          "type": "Completeness",
          "value": 96.300
        }
      ]
    },
    {
      "resolution_limits": [2.950,2.870],
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      "number_observations_unique": 2013,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.983
        },
        {
          "type": "R(meas)",
          "value": 3.993
        },
        {
          "type": "I/SigI",
          "value": 2.820
        },
        {
          "type": "Completeness",
          "value": 96.200
        }
      ]
    },
    {
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      "quality_factors": [
        {
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          "value": 3.146
        },
        {
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        },
        {
          "type": "I/SigI",
          "value": 3.700
        },
        {
          "type": "Completeness",
          "value": 96.700
        }
      ]
    },
    {
      "resolution_limits": [3.130,3.040],
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      "number_observations_unique": 1930,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.530
        },
        {
          "type": "R(meas)",
          "value": 2.536
        },
        {
          "type": "I/SigI",
          "value": 4.680
        },
        {
          "type": "Completeness",
          "value": 98.300
        }
      ]
    },
    {
      "resolution_limits": [3.230,3.130],
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      "number_observations_unique": 1926,
      "quality_factors": [
        {
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          "value": 1.716
        },
        {
          "type": "R(meas)",
          "value": 1.720
        },
        {
          "type": "I/SigI",
          "value": 7.000
        },
        {
          "type": "Completeness",
          "value": 98.700
        }
      ]
    },
    {
      "resolution_limits": [3.350,3.230],
      "number_observations": 365224,
      "number_observations_unique": 1823,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.233
        },
        {
          "type": "R(meas)",
          "value": 1.236
        },
        {
          "type": "I/SigI",
          "value": 9.820
        },
        {
          "type": "Completeness",
          "value": 99.100
        }
      ]
    },
    {
      "resolution_limits": [3.470,3.350],
      "number_observations": 353217,
      "number_observations_unique": 1794,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.869
        },
        {
          "type": "R(meas)",
          "value": 0.871
        },
        {
          "type": "I/SigI",
          "value": 14.210
        },
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
      "resolution_limits": [3.610,3.470],
      "number_observations": 336708,
      "number_observations_unique": 1736,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.647
        },
        {
          "type": "R(meas)",
          "value": 0.648
        },
        {
          "type": "I/SigI",
          "value": 19.260
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [3.780,3.610],
      "number_observations": 310961,
      "number_observations_unique": 1659,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.467
        },
        {
          "type": "R(meas)",
          "value": 0.469
        },
        {
          "type": "I/SigI",
          "value": 25.840
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [3.960,3.780],
      "number_observations": 276787,
      "number_observations_unique": 1600,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.329
        },
        {
          "type": "R(meas)",
          "value": 0.330
        },
        {
          "type": "I/SigI",
          "value": 34.660
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [4.170,3.960],
      "number_observations": 263870,
      "number_observations_unique": 1529,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.226
        },
        {
          "type": "R(meas)",
          "value": 0.226
        },
        {
          "type": "I/SigI",
          "value": 48.610
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [4.430,4.170],
      "number_observations": 274771,
      "number_observations_unique": 1456,
      "quality_factors": [
        {
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          "value": 0.151
        },
        {
          "type": "R(meas)",
          "value": 0.151
        },
        {
          "type": "I/SigI",
          "value": 70.410
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [4.730,4.430],
      "number_observations": 266454,
      "number_observations_unique": 1359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 76.910
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [5.110,4.730],
      "number_observations": 246402,
      "number_observations_unique": 1285,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "R(meas)",
          "value": 0.107
        },
        {
          "type": "I/SigI",
          "value": 90.840
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.600,5.110],
      "number_observations": 224955,
      "number_observations_unique": 1191,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        },
        {
          "type": "R(meas)",
          "value": 0.128
        },
        {
          "type": "I/SigI",
          "value": 79.570
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [6.260,5.600],
      "number_observations": 196378,
      "number_observations_unique": 1069,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "R(meas)",
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        },
        {
          "type": "I/SigI",
          "value": 76.260
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
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      "number_observations": 165434,
      "number_observations_unique": 972,
      "quality_factors": [
        {
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          "value": 0.100
        },
        {
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          "value": 0.100
        },
        {
          "type": "I/SigI",
          "value": 93.370
        },
        {
          "type": "Completeness",
          "value": 100.000
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      ]
    },
    {
      "resolution_limits": [8.850,7.230],
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      "number_observations_unique": 834,
      "quality_factors": [
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        },
        {
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          "value": 0.059
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        {
          "type": "I/SigI",
          "value": 122.230
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [12.520,8.850],
      "number_observations": 109883,
      "number_observations_unique": 660,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 169.940
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [51,12.520],
      "number_observations": 54421,
      "number_observations_unique": 404,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 152.140
        },
        {
          "type": "Completeness",
          "value": 97.600
        }
      ]
    }
  ]

}
  

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


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