Data quality metrics extracted from mmCIF - (by aB_cif2table1 from BUSTER, Global Phasing Ltd.)

Data quality metrics extracted from 7g6m.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": "75bce3b17c020bbea30d077d490289b8",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 84.691,
    "b": 92.560,
    "c": 120.715,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.28,2.130],
    "number_observations": 694408,
    "number_observations_unique": 53718,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.221
      },
      {
        "type": "R(meas)",
        "value": 0.230
      },
      {
        "type": "I/SigI",
        "value": 13.000
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 12.927
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.190,2.130],
      "number_observations": 52591,
      "number_observations_unique": 3911,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.302
        },
        {
          "type": "R(meas)",
          "value": 3.431
        },
        {
          "type": "I/SigI",
          "value": 1.120
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.447
        },
        {
          "type": "CC(1/2)",
          "value": 0.458
        }
      ]
    },
    {
      "resolution_limits": [2.250,2.190],
      "number_observations": 50892,
      "number_observations_unique": 3810,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.712
        },
        {
          "type": "R(meas)",
          "value": 3.859
        },
        {
          "type": "I/SigI",
          "value": 1.050
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 13.357
        },
        {
          "type": "CC(1/2)",
          "value": 0.589
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.250],
      "number_observations": 45666,
      "number_observations_unique": 3652,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.398
        },
        {
          "type": "R(meas)",
          "value": 2.503
        },
        {
          "type": "I/SigI",
          "value": 1.840
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 12.504
        },
        {
          "type": "CC(1/2)",
          "value": 0.701
        }
      ]
    },
    {
      "resolution_limits": [2.380,2.310],
      "number_observations": 47010,
      "number_observations_unique": 3629,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.746
        },
        {
          "type": "R(meas)",
          "value": 1.818
        },
        {
          "type": "I/SigI",
          "value": 2.440
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.954
        },
        {
          "type": "CC(1/2)",
          "value": 0.784
        }
      ]
    },
    {
      "resolution_limits": [2.460,2.380],
      "number_observations": 46556,
      "number_observations_unique": 3515,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.370
        },
        {
          "type": "R(meas)",
          "value": 1.425
        },
        {
          "type": "I/SigI",
          "value": 3.270
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.245
        },
        {
          "type": "CC(1/2)",
          "value": 0.847
        }
      ]
    },
    {
      "resolution_limits": [2.550,2.460],
      "number_observations": 43919,
      "number_observations_unique": 3385,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.146
        },
        {
          "type": "R(meas)",
          "value": 1.193
        },
        {
          "type": "I/SigI",
          "value": 4.050
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.975
        },
        {
          "type": "CC(1/2)",
          "value": 0.904
        }
      ]
    },
    {
      "resolution_limits": [2.640,2.550],
      "number_observations": 43609,
      "number_observations_unique": 3302,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.886
        },
        {
          "type": "R(meas)",
          "value": 0.922
        },
        {
          "type": "I/SigI",
          "value": 5.260
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.207
        },
        {
          "type": "CC(1/2)",
          "value": 0.933
        }
      ]
    },
    {
      "resolution_limits": [2.750,2.640],
      "number_observations": 41333,
      "number_observations_unique": 3156,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.714
        },
        {
          "type": "R(meas)",
          "value": 0.744
        },
        {
          "type": "I/SigI",
          "value": 6.710
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.097
        },
        {
          "type": "CC(1/2)",
          "value": 0.957
        }
      ]
    },
    {
      "resolution_limits": [2.870,2.750],
      "number_observations": 39433,
      "number_observations_unique": 3043,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.515
        },
        {
          "type": "R(meas)",
          "value": 0.537
        },
        {
          "type": "I/SigI",
          "value": 8.990
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.959
        },
        {
          "type": "CC(1/2)",
          "value": 0.980
        }
      ]
    },
    {
      "resolution_limits": [3.010,2.870],
      "number_observations": 38223,
      "number_observations_unique": 2913,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.405
        },
        {
          "type": "R(meas)",
          "value": 0.421
        },
        {
          "type": "I/SigI",
          "value": 11.430
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.122
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [3.180,3.010],
      "number_observations": 36257,
      "number_observations_unique": 2767,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.297
        },
        {
          "type": "R(meas)",
          "value": 0.309
        },
        {
          "type": "I/SigI",
          "value": 15.020
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.103
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.370,3.180],
      "number_observations": 33285,
      "number_observations_unique": 2640,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.222
        },
        {
          "type": "R(meas)",
          "value": 0.232
        },
        {
          "type": "I/SigI",
          "value": 19.210
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.608
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.600,3.370],
      "number_observations": 31777,
      "number_observations_unique": 2484,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.187
        },
        {
          "type": "R(meas)",
          "value": 0.194
        },
        {
          "type": "I/SigI",
          "value": 22.740
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.793
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.890,3.600],
      "number_observations": 29117,
      "number_observations_unique": 2324,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.149
        },
        {
          "type": "R(meas)",
          "value": 0.155
        },
        {
          "type": "I/SigI",
          "value": 25.710
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.529
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.260,3.890],
      "number_observations": 27626,
      "number_observations_unique": 2138,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "R(meas)",
          "value": 0.118
        },
        {
          "type": "I/SigI",
          "value": 32.410
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 12.921
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.760,4.260],
      "number_observations": 24540,
      "number_observations_unique": 1953,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 36.360
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.565
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [5.500,4.760],
      "number_observations": 21447,
      "number_observations_unique": 1739,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "R(meas)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 36.710
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.333
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.740,5.500],
      "number_observations": 19154,
      "number_observations_unique": 1486,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 36.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.890
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [9.530,6.740],
      "number_observations": 14223,
      "number_observations_unique": 1178,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "R(meas)",
          "value": 0.080
        },
        {
          "type": "I/SigI",
          "value": 40.850
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.074
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [46.280,9.530],
      "number_observations": 7750,
      "number_observations_unique": 693,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 50.110
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 11.183
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

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

	Overall	InnerShell	OuterShell
Low resolution limit [Å]	46.280	46.280	2.250
High resolution limit [Å]	2.130	9.530	2.190
R(merge)	0.2210	0.0510	3.7120
R(meas)	0.2300	0.0540	3.8590
CC(1/2)	0.998	0.999	0.589
Completeness [%]	99.8	98.4	99.4
Multiplicity	12.9	11.2	13.4
Binned data generated from MXLIMS-JSON (via JavaScript):

Resolution [Å]			R(merge)	R(meas)	CC(1/2)	Completeness [%]	Multiplicity
46.280	-	9.530	0.0510	0.0540	0.999	98.4	11.2
9.530	-	6.740	0.0760	0.0800	0.999	100.0	13.1
6.740	-	5.500	0.0940	0.0980	0.998	100.0	12.9
5.500	-	4.760	0.0940	0.0990	0.998	100.0	12.3
4.760	-	4.260	0.0940	0.0980	0.999	100.0	12.6
4.260	-	3.890	0.1130	0.1180	0.998	99.8	12.9
3.890	-	3.600	0.1490	0.1550	0.996	100.0	12.5
3.600	-	3.370	0.1870	0.1940	0.995	100.0	12.8
3.370	-	3.180	0.2220	0.2320	0.995	100.0	12.6
3.180	-	3.010	0.2970	0.3090	0.992	100.0	13.1
3.010	-	2.870	0.4050	0.4210	0.986	100.0	13.1
2.870	-	2.750	0.5150	0.5370	0.980	100.0	13.0
2.750	-	2.640	0.7140	0.7440	0.957	100.0	14.1
2.640	-	2.550	0.8860	0.9220	0.933	100.0	13.2
2.550	-	2.460	1.1460	1.1930	0.904	100.0	13.0
2.460	-	2.380	1.3700	1.4250	0.847	100.0	13.2
2.380	-	2.310	1.7460	1.8180	0.784	100.0	13.0
2.310	-	2.250	2.3980	2.5030	0.701	98.0	12.5
2.250	-	2.190	3.7120	3.8590	0.589	99.4	13.4
2.190	-	2.130	3.3020	3.4310	0.458	100.0	13.4