Data quality metrics extracted from 6yi1.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": "69be1be1aa952046105f1d48ea342fb6",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 120.38,
    "b": 120.38,
    "c": 331.91,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.85000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [88.279,1.920],
    "number_observations": 418679,
    "number_observations_unique": 70565,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.119
      },
      {
        "type": "R(meas)",
        "value": 0.129
      },
      {
        "type": "I/SigI",
        "value": 9.890
      },
      {
        "type": "Completeness",
        "value": 99.400
      },
      {
        "type": "Redundancy",
        "value": 5.933
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.020,1.920],
      "number_observations_unique": 9857,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.723
        },
        {
          "type": "R(meas)",
          "value": 0.790
        },
        {
          "type": "I/SigI",
          "value": 1.790
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 5.860
        },
        {
          "type": "CC(1/2)",
          "value": 0.682
        }
      ]
    },
    {
      "resolution_limits": [2.120,2.020],
      "number_observations_unique": 8148,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.550
        },
        {
          "type": "R(meas)",
          "value": 0.598
        },
        {
          "type": "I/SigI",
          "value": 2.600
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.103
        },
        {
          "type": "CC(1/2)",
          "value": 0.821
        }
      ]
    },
    {
      "resolution_limits": [2.220,2.120],
      "number_observations_unique": 6734,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.424
        },
        {
          "type": "R(meas)",
          "value": 0.463
        },
        {
          "type": "I/SigI",
          "value": 3.390
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.903
        },
        {
          "type": "CC(1/2)",
          "value": 0.899
        }
      ]
    },
    {
      "resolution_limits": [2.320,2.220],
      "number_observations_unique": 5610,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.326
        },
        {
          "type": "R(meas)",
          "value": 0.356
        },
        {
          "type": "I/SigI",
          "value": 4.350
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 5.721
        },
        {
          "type": "CC(1/2)",
          "value": 0.931
        }
      ]
    },
    {
      "resolution_limits": [2.500,2.320],
      "number_observations_unique": 8035,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.269
        },
        {
          "type": "R(meas)",
          "value": 0.293
        },
        {
          "type": "I/SigI",
          "value": 5.580
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.156
        },
        {
          "type": "CC(1/2)",
          "value": 0.955
        }
      ]
    },
    {
      "resolution_limits": [2.750,2.500],
      "number_observations_unique": 7938,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "R(meas)",
          "value": 0.220
        },
        {
          "type": "I/SigI",
          "value": 7.370
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 5.835
        },
        {
          "type": "CC(1/2)",
          "value": 0.974
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.750],
      "number_observations_unique": 5529,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.146
        },
        {
          "type": "R(meas)",
          "value": 0.160
        },
        {
          "type": "I/SigI",
          "value": 10.340
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 5.968
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [3.500,3.000],
      "number_observations_unique": 6871,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "R(meas)",
          "value": 0.100
        },
        {
          "type": "I/SigI",
          "value": 16.040
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 6.025
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.500],
      "number_observations_unique": 3885,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "R(meas)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 23.960
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 5.831
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [10.000,4.000],
      "number_observations_unique": 7422,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 30.450
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 5.897
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [20.000,10.000],
      "number_observations_unique": 461,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 41.790
        },
        {
          "type": "Completeness",
          "value": 93.300
        },
        {
          "type": "Redundancy",
          "value": 5.438
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [50.000,20.000],
      "number_observations_unique": 69,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 32.940
        },
        {
          "type": "Completeness",
          "value": 89.600
        },
        {
          "type": "Redundancy",
          "value": 3.246
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [100.000,50.000],
      "number_observations_unique": 6,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 26.590
        },
        {
          "type": "Completeness",
          "value": 75.000
        },
        {
          "type": "Redundancy",
          "value": 1.833
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 88.279 100.000 2.120
High resolution limit [Å] 1.920 50.000 2.020
R(merge) 0.1190 0.0460 0.5500
R(meas) 0.1290 0.0600 0.5980
CC(1/2) 0.997 1.000 0.821
Completeness [%] 99.4 75.0 99.9
Multiplicity 5.9 1.8 6.1


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
100.000-50.000 0.0460 0.0600 1.000 75.0 1.8
50.000-20.000 0.0240 0.0290 1.000 89.6 3.2
20.000-10.000 0.0290 0.0320 0.999 93.3 5.4
10.000-4.000 0.0460 0.0500 0.998 98.0 5.9
4.000-3.500 0.0600 0.0650 0.997 99.3 5.8
3.500-3.000 0.0910 0.1000 0.995 99.4 6.0
3.000-2.750 0.1460 0.1600 0.984 99.5 6.0
2.750-2.500 0.2010 0.2200 0.974 99.7 5.8
2.500-2.320 0.2690 0.2930 0.955 100.0 6.2
2.320-2.220 0.3260 0.3560 0.931 99.7 5.7
2.220-2.120 0.4240 0.4630 0.899 99.8 5.9
2.120-2.020 0.5500 0.5980 0.821 99.9 6.1
2.020-1.920 0.7230 0.7900 0.682 99.6 5.9