Data quality metrics extracted from 7o74.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": "c5030aa0797485ac8c32f9d6a3a3b602",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 130.146,
    "b": 117.592,
    "c": 106.991,
    "alpha": 90.00,
    "beta": 94.26,
    "gamma": 90.00
  },
  "wavelengths": [0.96860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.570,1.610],
    "number_observations": 1407503,
    "number_observations_unique": 202687,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.169
      },
      {
        "type": "R(meas)",
        "value": 0.183
      },
      {
        "type": "I/SigI",
        "value": 8.280
      },
      {
        "type": "Completeness",
        "value": 97.400
      },
      {
        "type": "Redundancy",
        "value": 6.944
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.650,1.610],
      "number_observations": 96974,
      "number_observations_unique": 14459,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.706
        },
        {
          "type": "R(meas)",
          "value": 2.931
        },
        {
          "type": "I/SigI",
          "value": 1.040
        },
        {
          "type": "Completeness",
          "value": 94.200
        },
        {
          "type": "Redundancy",
          "value": 6.707
        },
        {
          "type": "CC(1/2)",
          "value": 0.241
        }
      ]
    },
    {
      "resolution_limits": [1.690,1.650],
      "number_observations": 100550,
      "number_observations_unique": 14398,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.158
        },
        {
          "type": "R(meas)",
          "value": 2.331
        },
        {
          "type": "I/SigI",
          "value": 1.410
        },
        {
          "type": "Completeness",
          "value": 96.200
        },
        {
          "type": "Redundancy",
          "value": 6.984
        },
        {
          "type": "CC(1/2)",
          "value": 0.343
        }
      ]
    },
    {
      "resolution_limits": [1.740,1.690],
      "number_observations": 97116,
      "number_observations_unique": 14023,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.884
        },
        {
          "type": "R(meas)",
          "value": 2.036
        },
        {
          "type": "I/SigI",
          "value": 1.660
        },
        {
          "type": "Completeness",
          "value": 96.500
        },
        {
          "type": "Redundancy",
          "value": 6.925
        },
        {
          "type": "CC(1/2)",
          "value": 0.424
        }
      ]
    },
    {
      "resolution_limits": [1.800,1.740],
      "number_observations": 93146,
      "number_observations_unique": 13691,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.548
        },
        {
          "type": "R(meas)",
          "value": 1.677
        },
        {
          "type": "I/SigI",
          "value": 2.090
        },
        {
          "type": "Completeness",
          "value": 96.600
        },
        {
          "type": "Redundancy",
          "value": 6.803
        },
        {
          "type": "CC(1/2)",
          "value": 0.530
        }
      ]
    },
    {
      "resolution_limits": [1.860,1.800],
      "number_observations": 92849,
      "number_observations_unique": 13234,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.242
        },
        {
          "type": "R(meas)",
          "value": 1.341
        },
        {
          "type": "I/SigI",
          "value": 2.770
        },
        {
          "type": "Completeness",
          "value": 96.900
        },
        {
          "type": "Redundancy",
          "value": 7.016
        },
        {
          "type": "CC(1/2)",
          "value": 0.696
        }
      ]
    },
    {
      "resolution_limits": [1.920,1.860],
      "number_observations": 88507,
      "number_observations_unique": 12888,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.968
        },
        {
          "type": "R(meas)",
          "value": 1.048
        },
        {
          "type": "I/SigI",
          "value": 3.510
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 6.867
        },
        {
          "type": "CC(1/2)",
          "value": 0.784
        }
      ]
    },
    {
      "resolution_limits": [1.990,1.920],
      "number_observations": 87743,
      "number_observations_unique": 12447,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.734
        },
        {
          "type": "R(meas)",
          "value": 0.791
        },
        {
          "type": "I/SigI",
          "value": 4.520
        },
        {
          "type": "Completeness",
          "value": 97.200
        },
        {
          "type": "Redundancy",
          "value": 7.049
        },
        {
          "type": "CC(1/2)",
          "value": 0.871
        }
      ]
    },
    {
      "resolution_limits": [2.070,1.990],
      "number_observations": 85692,
      "number_observations_unique": 11985,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.550
        },
        {
          "type": "R(meas)",
          "value": 0.593
        },
        {
          "type": "I/SigI",
          "value": 5.800
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 7.150
        },
        {
          "type": "CC(1/2)",
          "value": 0.928
        }
      ]
    },
    {
      "resolution_limits": [2.170,2.070],
      "number_observations": 82234,
      "number_observations_unique": 11556,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.417
        },
        {
          "type": "R(meas)",
          "value": 0.450
        },
        {
          "type": "I/SigI",
          "value": 7.050
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 7.116
        },
        {
          "type": "CC(1/2)",
          "value": 0.956
        }
      ]
    },
    {
      "resolution_limits": [2.270,2.170],
      "number_observations": 78632,
      "number_observations_unique": 11046,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.312
        },
        {
          "type": "R(meas)",
          "value": 0.337
        },
        {
          "type": "I/SigI",
          "value": 8.540
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 7.119
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [2.400,2.270],
      "number_observations": 75552,
      "number_observations_unique": 10565,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.251
        },
        {
          "type": "R(meas)",
          "value": 0.270
        },
        {
          "type": "I/SigI",
          "value": 9.850
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 7.151
        },
        {
          "type": "CC(1/2)",
          "value": 0.979
        }
      ]
    },
    {
      "resolution_limits": [2.540,2.400],
      "number_observations": 71059,
      "number_observations_unique": 10010,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.196
        },
        {
          "type": "R(meas)",
          "value": 0.212
        },
        {
          "type": "I/SigI",
          "value": 11.320
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 7.099
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [2.720,2.540],
      "number_observations": 65933,
      "number_observations_unique": 9409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.164
        },
        {
          "type": "R(meas)",
          "value": 0.178
        },
        {
          "type": "I/SigI",
          "value": 12.600
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 7.007
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.930,2.720],
      "number_observations": 62030,
      "number_observations_unique": 8800,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "R(meas)",
          "value": 0.136
        },
        {
          "type": "I/SigI",
          "value": 15.030
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 7.049
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.210,2.930],
      "number_observations": 56184,
      "number_observations_unique": 8113,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.100
        },
        {
          "type": "R(meas)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 17.440
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 6.925
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.590,3.210],
      "number_observations": 50487,
      "number_observations_unique": 7342,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "R(meas)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 20.800
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 6.876
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [4.150,3.590],
      "number_observations": 43535,
      "number_observations_unique": 6529,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.074
        },
        {
          "type": "I/SigI",
          "value": 23.030
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 6.668
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [5.080,4.150],
      "number_observations": 35398,
      "number_observations_unique": 5528,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "I/SigI",
          "value": 23.870
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 6.403
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [7.190,5.080],
      "number_observations": 28029,
      "number_observations_unique": 4281,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 23.750
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 6.547
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [43.570,7.190],
      "number_observations": 15853,
      "number_observations_unique": 2383,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 26.100
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 6.653
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 43.570 43.570 1.690
High resolution limit [Å] 1.610 7.190 1.650
R(merge) 0.1690 0.0550 2.1580
R(meas) 0.1830 0.0600 2.3310
CC(1/2) 0.997 0.997 0.343
Completeness [%] 97.4 99.0 96.2
Multiplicity 6.9 6.7 7.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
43.570-7.190 0.0550 0.0600 0.997 99.0 6.7
7.190-5.080 0.0610 0.0660 0.996 99.2 6.5
5.080-4.150 0.0620 0.0670 0.996 99.2 6.4
4.150-3.590 0.0680 0.0740 0.995 99.2 6.7
3.590-3.210 0.0790 0.0850 0.995 99.0 6.9
3.210-2.930 0.1000 0.1080 0.994 98.9 6.9
2.930-2.720 0.1250 0.1360 0.992 98.7 7.0
2.720-2.540 0.1640 0.1780 0.988 98.5 7.0
2.540-2.400 0.1960 0.2120 0.986 98.3 8.1
2.400-2.270 0.2510 0.2700 0.979 98.2 7.2
2.270-2.170 0.3120 0.3370 0.971 97.8 7.1
2.170-2.070 0.4170 0.4500 0.956 97.7 7.1
2.070-1.990 0.5500 0.5930 0.928 97.5 7.2
1.990-1.920 0.7340 0.7910 0.871 97.2 7.0
1.920-1.860 0.9680 1.0480 0.784 97.0 6.9
1.860-1.800 1.2420 1.3410 0.696 96.9 7.0
1.800-1.740 1.5480 1.6770 0.530 96.6 6.8
1.740-1.690 1.8840 2.0360 0.424 96.5 6.9
1.690-1.650 2.1580 2.3310 0.343 96.2 7.0
1.650-1.610 2.7060 2.9310 0.241 94.2 6.7