Data quality metrics extracted from 8eiw.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": "2ca45870b58da274d678c66c929114d5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.96,
    "b": 71.64,
    "c": 92.68,
    "alpha": 90.00,
    "beta": 102.98,
    "gamma": 90.00
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.120,1.650],
    "number_observations": 1138596,
    "number_observations_unique": 84133,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.123
      },
      {
        "type": "R(meas)",
        "value": 0.127
      },
      {
        "type": "I/SigI",
        "value": 12.050
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 13.533
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.690,1.650],
      "number_observations": 82455,
      "number_observations_unique": 6195,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.105
        },
        {
          "type": "R(meas)",
          "value": 2.188
        },
        {
          "type": "I/SigI",
          "value": 1.380
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 13.310
        },
        {
          "type": "CC(1/2)",
          "value": 0.658
        }
      ]
    },
    {
      "resolution_limits": [1.740,1.690],
      "number_observations": 83238,
      "number_observations_unique": 5983,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.667
        },
        {
          "type": "R(meas)",
          "value": 1.730
        },
        {
          "type": "I/SigI",
          "value": 1.820
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 13.912
        },
        {
          "type": "CC(1/2)",
          "value": 0.776
        }
      ]
    },
    {
      "resolution_limits": [1.790,1.740],
      "number_observations": 80863,
      "number_observations_unique": 5886,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.268
        },
        {
          "type": "R(meas)",
          "value": 1.316
        },
        {
          "type": "I/SigI",
          "value": 2.440
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 13.738
        },
        {
          "type": "CC(1/2)",
          "value": 0.864
        }
      ]
    },
    {
      "resolution_limits": [1.840,1.790],
      "number_observations": 77098,
      "number_observations_unique": 5704,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.076
        },
        {
          "type": "R(meas)",
          "value": 1.118
        },
        {
          "type": "I/SigI",
          "value": 2.940
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 13.516
        },
        {
          "type": "CC(1/2)",
          "value": 0.886
        }
      ]
    },
    {
      "resolution_limits": [1.910,1.840],
      "number_observations": 71831,
      "number_observations_unique": 5498,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.784
        },
        {
          "type": "R(meas)",
          "value": 0.816
        },
        {
          "type": "I/SigI",
          "value": 4.000
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 13.065
        },
        {
          "type": "CC(1/2)",
          "value": 0.929
        }
      ]
    },
    {
      "resolution_limits": [1.970,1.910],
      "number_observations": 73397,
      "number_observations_unique": 5375,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.617
        },
        {
          "type": "R(meas)",
          "value": 0.641
        },
        {
          "type": "I/SigI",
          "value": 4.980
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 13.655
        },
        {
          "type": "CC(1/2)",
          "value": 0.960
        }
      ]
    },
    {
      "resolution_limits": [2.050,1.970],
      "number_observations": 69904,
      "number_observations_unique": 5179,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.467
        },
        {
          "type": "R(meas)",
          "value": 0.486
        },
        {
          "type": "I/SigI",
          "value": 6.340
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 13.498
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    },
    {
      "resolution_limits": [2.130,2.050],
      "number_observations": 69633,
      "number_observations_unique": 4952,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.354
        },
        {
          "type": "R(meas)",
          "value": 0.367
        },
        {
          "type": "I/SigI",
          "value": 8.310
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 14.062
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.220,2.130],
      "number_observations": 66542,
      "number_observations_unique": 4785,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.289
        },
        {
          "type": "R(meas)",
          "value": 0.300
        },
        {
          "type": "I/SigI",
          "value": 9.810
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 13.906
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [2.330,2.220],
      "number_observations": 62464,
      "number_observations_unique": 4565,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.228
        },
        {
          "type": "R(meas)",
          "value": 0.237
        },
        {
          "type": "I/SigI",
          "value": 11.780
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.683
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [2.460,2.330],
      "number_observations": 57309,
      "number_observations_unique": 4357,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.186
        },
        {
          "type": "R(meas)",
          "value": 0.193
        },
        {
          "type": "I/SigI",
          "value": 13.440
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.153
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.610,2.460],
      "number_observations": 55947,
      "number_observations_unique": 4146,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.157
        },
        {
          "type": "R(meas)",
          "value": 0.163
        },
        {
          "type": "I/SigI",
          "value": 15.840
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 13.494
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [2.790,2.610],
      "number_observations": 54945,
      "number_observations_unique": 3867,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "R(meas)",
          "value": 0.137
        },
        {
          "type": "I/SigI",
          "value": 18.750
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 14.209
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.010,2.790],
      "number_observations": 50570,
      "number_observations_unique": 3623,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        },
        {
          "type": "R(meas)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 21.860
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 13.958
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.300,3.010],
      "number_observations": 44102,
      "number_observations_unique": 3309,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "R(meas)",
          "value": 0.093
        },
        {
          "type": "I/SigI",
          "value": 24.790
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.328
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.690,3.300],
      "number_observations": 36847,
      "number_observations_unique": 3028,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 28.710
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 12.169
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.260,3.690],
      "number_observations": 35971,
      "number_observations_unique": 2667,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 35.040
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 13.487
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [5.220,4.260],
      "number_observations": 30386,
      "number_observations_unique": 2254,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 39.600
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 13.481
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [7.380,5.220],
      "number_observations": 21681,
      "number_observations_unique": 1775,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 37.280
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 12.215
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [39.120,7.380],
      "number_observations": 13413,
      "number_observations_unique": 985,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 46.720
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 13.617
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 39.120 39.120 1.740
High resolution limit [Å] 1.650 7.380 1.690
R(merge) 0.1230 0.0430 1.6670
R(meas) 0.1270 0.0440 1.7300
CC(1/2) 0.999 1.000 0.776
Completeness [%] 99.7 98.8 99.3
Multiplicity 13.5 13.6 13.9


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
39.120-7.380 0.0430 0.0440 1.000 98.8 13.6
7.380-5.220 0.0550 0.0570 0.999 99.8 12.2
5.220-4.260 0.0560 0.0580 0.999 99.9 13.5
4.260-3.690 0.0620 0.0650 0.999 99.9 13.5
3.690-3.300 0.0720 0.0750 0.998 99.9 12.2
3.300-3.010 0.0890 0.0930 0.998 100.0 13.3
3.010-2.790 0.1070 0.1110 0.998 99.9 14.0
2.790-2.610 0.1320 0.1370 0.996 99.9 14.2
2.610-2.460 0.1570 0.1630 0.996 99.9 13.5
2.460-2.330 0.1860 0.1930 0.994 100.0 13.2
2.330-2.220 0.2280 0.2370 0.992 100.0 13.7
2.220-2.130 0.2890 0.3000 0.990 99.8 13.9
2.130-2.050 0.3540 0.3670 0.987 99.9 15.1
2.050-1.970 0.4670 0.4860 0.976 99.8 13.5
1.970-1.910 0.6170 0.6410 0.960 99.6 13.7
1.910-1.840 0.7840 0.8160 0.929 99.7 14.1
1.840-1.790 1.0760 1.1180 0.886 99.5 13.5
1.790-1.740 1.2680 1.3160 0.864 99.6 13.7
1.740-1.690 1.6670 1.7300 0.776 99.3 13.9
1.690-1.650 2.1050 2.1880 0.658 99.4 13.3