Data quality metrics extracted from 7fu9.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": "70c41d987a37766a10d009722ed88f7d",
  "space_group_name": "P 21 2 21",
  "unit_cell": {
    "a": 47.656,
    "b": 58.578,
    "c": 126.008,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99989],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [58.58,1.670],
    "number_observations": 270527,
    "number_observations_unique": 41967,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.094
      },
      {
        "type": "R(meas)",
        "value": 0.102
      },
      {
        "type": "I/SigI",
        "value": 7.950
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 6.446
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.710,1.670],
      "number_observations": 18568,
      "number_observations_unique": 3046,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.651
        },
        {
          "type": "R(meas)",
          "value": 6.179
        },
        {
          "type": "I/SigI",
          "value": 0.290
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.096
        },
        {
          "type": "CC(1/2)",
          "value": 0.195
        }
      ]
    },
    {
      "resolution_limits": [1.760,1.710],
      "number_observations": 19366,
      "number_observations_unique": 2993,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.277
        },
        {
          "type": "R(meas)",
          "value": 3.563
        },
        {
          "type": "I/SigI",
          "value": 0.540
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.470
        },
        {
          "type": "CC(1/2)",
          "value": 0.321
        }
      ]
    },
    {
      "resolution_limits": [1.810,1.760],
      "number_observations": 19379,
      "number_observations_unique": 2871,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.462
        },
        {
          "type": "R(meas)",
          "value": 2.666
        },
        {
          "type": "I/SigI",
          "value": 0.760
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.750
        },
        {
          "type": "CC(1/2)",
          "value": 0.446
        }
      ]
    },
    {
      "resolution_limits": [1.860,1.810],
      "number_observations": 18805,
      "number_observations_unique": 2810,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.769
        },
        {
          "type": "R(meas)",
          "value": 1.917
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.692
        },
        {
          "type": "CC(1/2)",
          "value": 0.589
        }
      ]
    },
    {
      "resolution_limits": [1.930,1.860],
      "number_observations": 18108,
      "number_observations_unique": 2746,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.317
        },
        {
          "type": "R(meas)",
          "value": 1.429
        },
        {
          "type": "I/SigI",
          "value": 1.470
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.594
        },
        {
          "type": "CC(1/2)",
          "value": 0.716
        }
      ]
    },
    {
      "resolution_limits": [1.990,1.930],
      "number_observations": 17029,
      "number_observations_unique": 2650,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.899
        },
        {
          "type": "R(meas)",
          "value": 0.978
        },
        {
          "type": "I/SigI",
          "value": 2.150
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.426
        },
        {
          "type": "CC(1/2)",
          "value": 0.838
        }
      ]
    },
    {
      "resolution_limits": [2.070,1.990],
      "number_observations": 15607,
      "number_observations_unique": 2575,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.621
        },
        {
          "type": "R(meas)",
          "value": 0.680
        },
        {
          "type": "I/SigI",
          "value": 2.930
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.061
        },
        {
          "type": "CC(1/2)",
          "value": 0.890
        }
      ]
    },
    {
      "resolution_limits": [2.150,2.070],
      "number_observations": 16555,
      "number_observations_unique": 2461,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.448
        },
        {
          "type": "R(meas)",
          "value": 0.485
        },
        {
          "type": "I/SigI",
          "value": 4.170
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.727
        },
        {
          "type": "CC(1/2)",
          "value": 0.943
        }
      ]
    },
    {
      "resolution_limits": [2.250,2.150],
      "number_observations": 15902,
      "number_observations_unique": 2365,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.314
        },
        {
          "type": "R(meas)",
          "value": 0.340
        },
        {
          "type": "I/SigI",
          "value": 5.730
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.724
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [2.360,2.250],
      "number_observations": 15196,
      "number_observations_unique": 2275,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.233
        },
        {
          "type": "R(meas)",
          "value": 0.252
        },
        {
          "type": "I/SigI",
          "value": 7.470
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.680
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [2.490,2.360],
      "number_observations": 14241,
      "number_observations_unique": 2168,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.193
        },
        {
          "type": "R(meas)",
          "value": 0.210
        },
        {
          "type": "I/SigI",
          "value": 8.850
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.569
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.640,2.490],
      "number_observations": 12511,
      "number_observations_unique": 2051,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "R(meas)",
          "value": 0.148
        },
        {
          "type": "I/SigI",
          "value": 10.960
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.820,2.640],
      "number_observations": 12798,
      "number_observations_unique": 1942,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "R(meas)",
          "value": 0.119
        },
        {
          "type": "I/SigI",
          "value": 13.660
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.590
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.050,2.820],
      "number_observations": 11961,
      "number_observations_unique": 1785,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(meas)",
          "value": 0.092
        },
        {
          "type": "I/SigI",
          "value": 17.020
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.701
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.340,3.050],
      "number_observations": 10860,
      "number_observations_unique": 1680,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 20.080
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.464
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.730,3.340],
      "number_observations": 9050,
      "number_observations_unique": 1533,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 22.210
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.903
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.310,3.730],
      "number_observations": 8407,
      "number_observations_unique": 1360,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "I/SigI",
          "value": 24.210
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.182
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [5.270,4.310],
      "number_observations": 7607,
      "number_observations_unique": 1174,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 26.520
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.480
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [7.460,5.270],
      "number_observations": 5338,
      "number_observations_unique": 924,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 24.990
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.777
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [53.119,7.460],
      "number_observations": 3239,
      "number_observations_unique": 558,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "I/SigI",
          "value": 25.930
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 5.805
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 58.580 53.119 1.760
High resolution limit [Å] 1.670 7.460 1.710
R(merge) 0.0940 0.0620 3.2770
R(meas) 0.1020 0.0670 3.5630
CC(1/2) 0.998 0.997 0.321
Completeness [%] 99.9 99.3 99.9
Multiplicity 6.4 5.8 6.5


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
53.119-7.460 0.0620 0.0670 0.997 99.3 5.8
7.460-5.270 0.0650 0.0720 0.993 99.9 5.8
5.270-4.310 0.0610 0.0660 0.996 99.7 6.5
4.310-3.730 0.0590 0.0640 0.997 100.0 6.2
3.730-3.340 0.0620 0.0680 0.996 99.9 5.9
3.340-3.050 0.0710 0.0770 0.997 99.9 6.5
3.050-2.820 0.0850 0.0920 0.997 99.8 6.7
2.820-2.640 0.1100 0.1190 0.995 99.9 6.6
2.640-2.490 0.1350 0.1480 0.993 100.0 6.1
2.490-2.360 0.1930 0.2100 0.987 100.0 6.6
2.360-2.250 0.2330 0.2520 0.983 100.0 6.7
2.250-2.150 0.3140 0.3400 0.978 99.9 6.7
2.150-2.070 0.4480 0.4850 0.943 100.0 6.7
2.070-1.990 0.6210 0.6800 0.890 100.0 7.1
1.990-1.930 0.8990 0.9780 0.838 99.8 6.4
1.930-1.860 1.3170 1.4290 0.716 99.9 6.6
1.860-1.810 1.7690 1.9170 0.589 99.9 6.7
1.810-1.760 2.4620 2.6660 0.446 100.0 6.8
1.760-1.710 3.2770 3.5630 0.321 99.9 6.5
1.710-1.670 5.6510 6.1790 0.195 99.8 7.1