Data quality metrics extracted from 7cyy.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": "d2624409cfab77e4e1ed4677d20a92ea",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 205.582,
    "b": 82.120,
    "c": 192.726,
    "alpha": 90.00,
    "beta": 117.93,
    "gamma": 90.00
  },
  "wavelengths": [0.97942],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.5800],
    "number_observations_unique": 88026,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.195
      },
      {
        "type": "R(meas)",
        "value": 0.212
      },
      {
        "type": "R(pim)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 3.300
      },
      {
        "type": "Completeness",
        "value": 99.000
      },
      {
        "type": "Redundancy",
        "value": 6.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.640,2.600],
      "number_observations_unique": 4409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.997
        },
        {
          "type": "R(meas)",
          "value": 1.090
        },
        {
          "type": "R(pim)",
          "value": 0.434
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 6.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.636
        }
      ]
    },
    {
      "resolution_limits": [2.690,2.640],
      "number_observations_unique": 4227,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.890
        },
        {
          "type": "R(meas)",
          "value": 0.973
        },
        {
          "type": "R(pim)",
          "value": 0.388
        },
        {
          "type": "Completeness",
          "value": 96.800
        },
        {
          "type": "Redundancy",
          "value": 6.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.689
        }
      ]
    },
    {
      "resolution_limits": [2.740,2.690],
      "number_observations_unique": 4360,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.795
        },
        {
          "type": "R(meas)",
          "value": 0.862
        },
        {
          "type": "R(pim)",
          "value": 0.330
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.751
        }
      ]
    },
    {
      "resolution_limits": [2.800,2.740],
      "number_observations_unique": 4419,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.734
        },
        {
          "type": "R(meas)",
          "value": 0.794
        },
        {
          "type": "R(pim)",
          "value": 0.301
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.797
        }
      ]
    },
    {
      "resolution_limits": [2.860,2.800],
      "number_observations_unique": 4411,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.638
        },
        {
          "type": "R(meas)",
          "value": 0.691
        },
        {
          "type": "R(pim)",
          "value": 0.262
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 6.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.835
        }
      ]
    },
    {
      "resolution_limits": [2.930,2.860],
      "number_observations_unique": 4420,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.568
        },
        {
          "type": "R(meas)",
          "value": 0.614
        },
        {
          "type": "R(pim)",
          "value": 0.232
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.850
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.930],
      "number_observations_unique": 4383,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.498
        },
        {
          "type": "R(meas)",
          "value": 0.539
        },
        {
          "type": "R(pim)",
          "value": 0.205
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 6.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.887
        }
      ]
    },
    {
      "resolution_limits": [3.080,3.000],
      "number_observations_unique": 4374,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.430
        },
        {
          "type": "R(meas)",
          "value": 0.467
        },
        {
          "type": "R(pim)",
          "value": 0.179
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 6.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.901
        }
      ]
    },
    {
      "resolution_limits": [3.170,3.080],
      "number_observations_unique": 4429,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.365
        },
        {
          "type": "R(meas)",
          "value": 0.396
        },
        {
          "type": "R(pim)",
          "value": 0.152
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 6.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.924
        }
      ]
    },
    {
      "resolution_limits": [3.280,3.170],
      "number_observations_unique": 4316,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.319
        },
        {
          "type": "R(meas)",
          "value": 0.349
        },
        {
          "type": "R(pim)",
          "value": 0.138
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 6.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.924
        }
      ]
    },
    {
      "resolution_limits": [3.390,3.280],
      "number_observations_unique": 4372,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.254
        },
        {
          "type": "R(meas)",
          "value": 0.275
        },
        {
          "type": "R(pim)",
          "value": 0.105
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 6.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.958
        }
      ]
    },
    {
      "resolution_limits": [3.530,3.390],
      "number_observations_unique": 4403,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.228
        },
        {
          "type": "R(meas)",
          "value": 0.247
        },
        {
          "type": "R(pim)",
          "value": 0.094
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.967
        }
      ]
    },
    {
      "resolution_limits": [3.690,3.530],
      "number_observations_unique": 4416,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "R(meas)",
          "value": 0.218
        },
        {
          "type": "R(pim)",
          "value": 0.083
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [3.880,3.690],
      "number_observations_unique": 4409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.178
        },
        {
          "type": "R(meas)",
          "value": 0.193
        },
        {
          "type": "R(pim)",
          "value": 0.073
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    },
    {
      "resolution_limits": [4.130,3.880],
      "number_observations_unique": 4467,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.162
        },
        {
          "type": "R(meas)",
          "value": 0.176
        },
        {
          "type": "R(pim)",
          "value": 0.068
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 6.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.980
        }
      ]
    },
    {
      "resolution_limits": [4.450,4.130],
      "number_observations_unique": 4316,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.144
        },
        {
          "type": "R(meas)",
          "value": 0.157
        },
        {
          "type": "R(pim)",
          "value": 0.062
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 6.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [4.890,4.450],
      "number_observations_unique": 4457,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        },
        {
          "type": "R(meas)",
          "value": 0.144
        },
        {
          "type": "R(pim)",
          "value": 0.054
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 7.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [5.600,4.890],
      "number_observations_unique": 4443,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        },
        {
          "type": "R(meas)",
          "value": 0.144
        },
        {
          "type": "R(pim)",
          "value": 0.055
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 6.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [7.050,5.600],
      "number_observations_unique": 4437,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.130
        },
        {
          "type": "R(meas)",
          "value": 0.141
        },
        {
          "type": "R(pim)",
          "value": 0.055
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 6.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [50.000,7.050],
      "number_observations_unique": 4558,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "R(meas)",
          "value": 0.116
        },
        {
          "type": "R(pim)",
          "value": 0.046
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 6.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 2.690
High resolution limit [Å] 2.580 7.050 2.640
R(merge) 0.1950 0.1060 0.8900
R(meas) 0.2120 0.1160 0.9730
R(pim) 0.0810 0.0460 0.3880
CC(1/2) - 0.991 0.689
Completeness [%] 99.0 98.9 96.8
Multiplicity 6.7 6.4 6.0


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-7.050 0.1060 0.1160 0.0460 0.991 98.9 6.4
7.050-5.600 0.1300 0.1410 0.0550 0.983 98.3 6.4
5.600-4.890 0.1330 0.1440 0.0550 0.985 99.4 6.8
4.890-4.450 0.1330 0.1440 0.0540 0.987 99.5 7.0
4.450-4.130 0.1440 0.1570 0.0620 0.982 97.7 6.3
4.130-3.880 0.1620 0.1760 0.0680 0.980 99.2 6.7
3.880-3.690 0.1780 0.1930 0.0730 0.976 99.7 6.8
3.690-3.530 0.2010 0.2180 0.0830 0.972 99.7 6.9
3.530-3.390 0.2280 0.2470 0.0940 0.967 99.7 6.9
3.390-3.280 0.2540 0.2750 0.1050 0.958 98.8 6.7
3.280-3.170 0.3190 0.3490 0.1380 0.924 97.8 6.2
3.170-3.080 0.3650 0.3960 0.1520 0.924 99.3 6.6
3.080-3.000 0.4300 0.4670 0.1790 0.901 99.3 6.7
3.000-2.930 0.4980 0.5390 0.2050 0.887 99.5 6.9
2.930-2.860 0.5680 0.6140 0.2320 0.850 99.7 6.9
2.860-2.800 0.6380 0.6910 0.2620 0.835 99.5 6.9
2.800-2.740 0.7340 0.7940 0.3010 0.797 99.7 6.9
2.740-2.690 0.7950 0.8620 0.3300 0.751 99.7 6.8
2.690-2.640 0.8900 0.9730 0.3880 0.689 96.8 6.0
2.640-2.600 0.9970 1.0900 0.4340 0.636 98.7 6.1