Data quality metrics extracted from 7g55.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": "9e23586e8c019018e8710d7511b227b2",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 84.022,
    "b": 92.042,
    "c": 120.659,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99999],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.02,2.100],
    "number_observations": 366234,
    "number_observations_unique": 55304,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.131
      },
      {
        "type": "R(meas)",
        "value": 0.142
      },
      {
        "type": "I/SigI",
        "value": 10.320
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 6.622
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.150,2.100],
      "number_observations": 27661,
      "number_observations_unique": 4039,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.480
        },
        {
          "type": "R(meas)",
          "value": 1.601
        },
        {
          "type": "I/SigI",
          "value": 1.310
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.848
        },
        {
          "type": "CC(1/2)",
          "value": 0.555
        }
      ]
    },
    {
      "resolution_limits": [2.210,2.150],
      "number_observations": 26415,
      "number_observations_unique": 3889,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.509
        },
        {
          "type": "R(meas)",
          "value": 1.634
        },
        {
          "type": "I/SigI",
          "value": 1.290
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.792
        },
        {
          "type": "CC(1/2)",
          "value": 0.612
        }
      ]
    },
    {
      "resolution_limits": [2.280,2.210],
      "number_observations": 25689,
      "number_observations_unique": 3848,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.976
        },
        {
          "type": "R(meas)",
          "value": 1.058
        },
        {
          "type": "I/SigI",
          "value": 2.020
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.676
        },
        {
          "type": "CC(1/2)",
          "value": 0.666
        }
      ]
    },
    {
      "resolution_limits": [2.350,2.280],
      "number_observations": 23852,
      "number_observations_unique": 3724,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.947
        },
        {
          "type": "R(meas)",
          "value": 1.031
        },
        {
          "type": "I/SigI",
          "value": 2.070
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.405
        },
        {
          "type": "CC(1/2)",
          "value": 0.760
        }
      ]
    },
    {
      "resolution_limits": [2.420,2.350],
      "number_observations": 23752,
      "number_observations_unique": 3606,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.655
        },
        {
          "type": "R(meas)",
          "value": 0.711
        },
        {
          "type": "I/SigI",
          "value": 3.060
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.587
        },
        {
          "type": "CC(1/2)",
          "value": 0.839
        }
      ]
    },
    {
      "resolution_limits": [2.510,2.420],
      "number_observations": 24014,
      "number_observations_unique": 3477,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.508
        },
        {
          "type": "R(meas)",
          "value": 0.549
        },
        {
          "type": "I/SigI",
          "value": 3.920
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.907
        },
        {
          "type": "CC(1/2)",
          "value": 0.919
        }
      ]
    },
    {
      "resolution_limits": [2.600,2.510],
      "number_observations": 23185,
      "number_observations_unique": 3378,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.413
        },
        {
          "type": "R(meas)",
          "value": 0.447
        },
        {
          "type": "I/SigI",
          "value": 4.850
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.864
        },
        {
          "type": "CC(1/2)",
          "value": 0.938
        }
      ]
    },
    {
      "resolution_limits": [2.710,2.600],
      "number_observations": 22031,
      "number_observations_unique": 3296,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.323
        },
        {
          "type": "R(meas)",
          "value": 0.350
        },
        {
          "type": "I/SigI",
          "value": 6.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.684
        },
        {
          "type": "CC(1/2)",
          "value": 0.960
        }
      ]
    },
    {
      "resolution_limits": [2.830,2.710],
      "number_observations": 19870,
      "number_observations_unique": 3106,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.237
        },
        {
          "type": "R(meas)",
          "value": 0.258
        },
        {
          "type": "I/SigI",
          "value": 7.760
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.397
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [2.970,2.830],
      "number_observations": 19485,
      "number_observations_unique": 2997,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.190
        },
        {
          "type": "R(meas)",
          "value": 0.207
        },
        {
          "type": "I/SigI",
          "value": 9.650
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.502
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [3.130,2.970],
      "number_observations": 19618,
      "number_observations_unique": 2847,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.147
        },
        {
          "type": "R(meas)",
          "value": 0.159
        },
        {
          "type": "I/SigI",
          "value": 12.290
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.891
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [3.320,3.130],
      "number_observations": 18420,
      "number_observations_unique": 2714,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "R(meas)",
          "value": 0.118
        },
        {
          "type": "I/SigI",
          "value": 15.760
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.787
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.550,3.320],
      "number_observations": 17051,
      "number_observations_unique": 2571,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "R(meas)",
          "value": 0.097
        },
        {
          "type": "I/SigI",
          "value": 18.700
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.632
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.830,3.550],
      "number_observations": 14826,
      "number_observations_unique": 2369,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "R(meas)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 19.860
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.258
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [4.200,3.830],
      "number_observations": 14835,
      "number_observations_unique": 2217,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 24.910
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.691
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.700,4.200],
      "number_observations": 13272,
      "number_observations_unique": 1995,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 27.800
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.653
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.420,4.700],
      "number_observations": 10986,
      "number_observations_unique": 1785,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 26.970
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.155
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [6.640,5.420],
      "number_observations": 9724,
      "number_observations_unique": 1526,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 26.270
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.372
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [9.390,6.640],
      "number_observations": 7586,
      "number_observations_unique": 1210,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.053
        },
        {
          "type": "I/SigI",
          "value": 29.730
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.269
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [46.021,9.390],
      "number_observations": 3962,
      "number_observations_unique": 710,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 33.170
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 5.580
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 46.020 46.021 2.210
High resolution limit [Å] 2.100 9.390 2.150
R(merge) 0.1310 0.0400 1.5090
R(meas) 0.1420 0.0440 1.6340
CC(1/2) 0.997 0.998 0.612
Completeness [%] 99.9 98.1 99.9
Multiplicity 6.6 5.6 6.8


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
46.021-9.390 0.0400 0.0440 0.998 98.1 5.6
9.390-6.640 0.0490 0.0530 0.998 100.0 6.3
6.640-5.420 0.0580 0.0630 0.997 100.0 6.4
5.420-4.700 0.0550 0.0600 0.997 99.8 6.2
4.700-4.200 0.0540 0.0590 0.998 100.0 6.7
4.200-3.830 0.0640 0.0690 0.997 99.9 6.7
3.830-3.550 0.0790 0.0860 0.995 99.9 6.3
3.550-3.320 0.0890 0.0970 0.996 100.0 6.6
3.320-3.130 0.1090 0.1180 0.994 100.0 6.8
3.130-2.970 0.1470 0.1590 0.990 100.0 6.9
2.970-2.830 0.1900 0.2070 0.982 99.9 6.5
2.830-2.710 0.2370 0.2580 0.975 100.0 6.4
2.710-2.600 0.3230 0.3500 0.960 100.0 6.7
2.600-2.510 0.4130 0.4470 0.938 99.9 6.9
2.510-2.420 0.5080 0.5490 0.919 99.9 6.9
2.420-2.350 0.6550 0.7110 0.839 99.9 6.6
2.350-2.280 0.9470 1.0310 0.760 99.9 6.4
2.280-2.210 0.9760 1.0580 0.666 99.9 6.7
2.210-2.150 1.5090 1.6340 0.612 99.9 6.8
2.150-2.100 1.4800 1.6010 0.555 99.9 6.8