Data quality metrics extracted from 5btc.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": "154c16f052c2e418c89a89bbcc46cea3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 108.336,
    "b": 82.976,
    "c": 129.703,
    "alpha": 90.00,
    "beta": 109.06,
    "gamma": 90.00
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.7,2.55],
    "number_observations": 239756,
    "number_observations_unique": 239725,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1104
      },
      {
        "type": "R(meas)",
        "value": 0.136
      },
      {
        "type": "I/SigI",
        "value": 8.98
      },
      {
        "type": "Completeness",
        "value": 98.56
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.641,2.550],
      "number_observations": 16547,
      "number_observations_unique": 9517,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.807
        },
        {
          "type": "R(meas)",
          "value": 1.404
        },
        {
          "type": "I/SigI",
          "value": 1.26
        },
        {
          "type": "Completeness",
          "value": 98.73
        }
      ]
    },
    {
      "resolution_limits": [2.690,2.610],
      "number_observations": 18009,
      "number_observations_unique": 9748,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.686
        },
        {
          "type": "R(meas)",
          "value": 1.116
        },
        {
          "type": "I/SigI",
          "value": 1.270
        },
        {
          "type": "Completeness",
          "value": 97.100
        }
      ]
    },
    {
      "resolution_limits": [2.760,2.690],
      "number_observations": 17583,
      "number_observations_unique": 9592,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.531
        },
        {
          "type": "R(meas)",
          "value": 0.948
        },
        {
          "type": "I/SigI",
          "value": 1.460
        },
        {
          "type": "Completeness",
          "value": 97.300
        }
      ]
    },
    {
      "resolution_limits": [2.850,2.760],
      "number_observations": 16880,
      "number_observations_unique": 9263,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.448
        },
        {
          "type": "R(meas)",
          "value": 0.734
        },
        {
          "type": "I/SigI",
          "value": 1.870
        },
        {
          "type": "Completeness",
          "value": 96.900
        }
      ]
    },
    {
      "resolution_limits": [2.940,2.850],
      "number_observations": 15959,
      "number_observations_unique": 8837,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.342
        },
        {
          "type": "R(meas)",
          "value": 0.619
        },
        {
          "type": "I/SigI",
          "value": 2.200
        },
        {
          "type": "Completeness",
          "value": 96.700
        }
      ]
    },
    {
      "resolution_limits": [3.050,2.940],
      "number_observations": 15231,
      "number_observations_unique": 8558,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.253
        },
        {
          "type": "R(meas)",
          "value": 0.472
        },
        {
          "type": "I/SigI",
          "value": 2.710
        },
        {
          "type": "Completeness",
          "value": 96.000
        }
      ]
    },
    {
      "resolution_limits": [3.160,3.050],
      "number_observations": 13448,
      "number_observations_unique": 7993,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.211
        },
        {
          "type": "R(meas)",
          "value": 0.350
        },
        {
          "type": "I/SigI",
          "value": 3.380
        },
        {
          "type": "Completeness",
          "value": 93.000
        }
      ]
    },
    {
      "resolution_limits": [3.290,3.160],
      "number_observations": 14814,
      "number_observations_unique": 7989,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.156
        },
        {
          "type": "R(meas)",
          "value": 0.291
        },
        {
          "type": "I/SigI",
          "value": 4.330
        },
        {
          "type": "Completeness",
          "value": 96.700
        }
      ]
    },
    {
      "resolution_limits": [3.440,3.290],
      "number_observations": 14108,
      "number_observations_unique": 7620,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.118
        },
        {
          "type": "R(meas)",
          "value": 0.215
        },
        {
          "type": "I/SigI",
          "value": 5.480
        },
        {
          "type": "Completeness",
          "value": 96.300
        }
      ]
    },
    {
      "resolution_limits": [3.600,3.440],
      "number_observations": 13437,
      "number_observations_unique": 7327,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        },
        {
          "type": "R(meas)",
          "value": 0.163
        },
        {
          "type": "I/SigI",
          "value": 7.050
        },
        {
          "type": "Completeness",
          "value": 95.600
        }
      ]
    },
    {
      "resolution_limits": [3.800,3.600],
      "number_observations": 12447,
      "number_observations_unique": 6902,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "R(meas)",
          "value": 0.127
        },
        {
          "type": "I/SigI",
          "value": 8.500
        },
        {
          "type": "Completeness",
          "value": 96.100
        }
      ]
    },
    {
      "resolution_limits": [4.030,3.800],
      "number_observations": 11126,
      "number_observations_unique": 6359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 10.000
        },
        {
          "type": "Completeness",
          "value": 94.100
        }
      ]
    },
    {
      "resolution_limits": [4.310,4.030],
      "number_observations": 10425,
      "number_observations_unique": 6018,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.080
        },
        {
          "type": "I/SigI",
          "value": 11.750
        },
        {
          "type": "Completeness",
          "value": 93.000
        }
      ]
    },
    {
      "resolution_limits": [4.650,4.310],
      "number_observations": 10588,
      "number_observations_unique": 5689,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 13.310
        },
        {
          "type": "Completeness",
          "value": 95.300
        }
      ]
    },
    {
      "resolution_limits": [5.100,4.650],
      "number_observations": 9581,
      "number_observations_unique": 5186,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 14.190
        },
        {
          "type": "Completeness",
          "value": 94.800
        }
      ]
    },
    {
      "resolution_limits": [5.700,5.100],
      "number_observations": 8480,
      "number_observations_unique": 4727,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.070
        },
        {
          "type": "I/SigI",
          "value": 13.130
        },
        {
          "type": "Completeness",
          "value": 94.700
        }
      ]
    },
    {
      "resolution_limits": [6.580,5.700],
      "number_observations": 7010,
      "number_observations_unique": 4038,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 13.120
        },
        {
          "type": "Completeness",
          "value": 92.900
        }
      ]
    },
    {
      "resolution_limits": [8.060,6.580],
      "number_observations": 6654,
      "number_observations_unique": 3550,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 16.230
        },
        {
          "type": "Completeness",
          "value": 95.600
        }
      ]
    },
    {
      "resolution_limits": [11.400,8.060],
      "number_observations": 4783,
      "number_observations_unique": 2683,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "R(meas)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 19.280
        },
        {
          "type": "Completeness",
          "value": 94.100
        }
      ]
    },
    {
      "resolution_limits": [47.7,11.400],
      "number_observations": 2646,
      "number_observations_unique": 1427,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 21.300
        },
        {
          "type": "Completeness",
          "value": 91.400
        }
      ]
    }
  ]

}
  

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


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