Data quality metrics extracted from 6rxk.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": "0bab07ad3e21a85c88d871fd8628ca7d",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 92.73,
    "b": 92.73,
    "c": 58.62,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.365,1.350],
    "number_observations": 1435397,
    "number_observations_unique": 57070,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.090
      },
      {
        "type": "R(meas)",
        "value": 0.092
      },
      {
        "type": "I/SigI",
        "value": 18.960
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 25.152
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.390,1.350],
      "number_observations": 106278,
      "number_observations_unique": 4152,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.586
        },
        {
          "type": "R(meas)",
          "value": 2.638
        },
        {
          "type": "I/SigI",
          "value": 1.560
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 25.597
        },
        {
          "type": "CC(1/2)",
          "value": 0.626
        }
      ]
    },
    {
      "resolution_limits": [1.420,1.390],
      "number_observations": 104403,
      "number_observations_unique": 4067,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.986
        },
        {
          "type": "R(meas)",
          "value": 2.026
        },
        {
          "type": "I/SigI",
          "value": 2.090
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.671
        },
        {
          "type": "CC(1/2)",
          "value": 0.742
        }
      ]
    },
    {
      "resolution_limits": [1.460,1.420],
      "number_observations": 100058,
      "number_observations_unique": 3946,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.559
        },
        {
          "type": "R(meas)",
          "value": 1.591
        },
        {
          "type": "I/SigI",
          "value": 2.710
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.357
        },
        {
          "type": "CC(1/2)",
          "value": 0.818
        }
      ]
    },
    {
      "resolution_limits": [1.510,1.460],
      "number_observations": 94500,
      "number_observations_unique": 3824,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.151
        },
        {
          "type": "R(meas)",
          "value": 1.175
        },
        {
          "type": "I/SigI",
          "value": 3.690
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 24.712
        },
        {
          "type": "CC(1/2)",
          "value": 0.896
        }
      ]
    },
    {
      "resolution_limits": [1.560,1.510],
      "number_observations": 86129,
      "number_observations_unique": 3718,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.851
        },
        {
          "type": "R(meas)",
          "value": 0.870
        },
        {
          "type": "I/SigI",
          "value": 4.850
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.165
        },
        {
          "type": "CC(1/2)",
          "value": 0.940
        }
      ]
    },
    {
      "resolution_limits": [1.610,1.560],
      "number_observations": 90433,
      "number_observations_unique": 3591,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.618
        },
        {
          "type": "R(meas)",
          "value": 0.631
        },
        {
          "type": "I/SigI",
          "value": 6.850
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.183
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [1.670,1.610],
      "number_observations": 90630,
      "number_observations_unique": 3497,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.478
        },
        {
          "type": "R(meas)",
          "value": 0.488
        },
        {
          "type": "I/SigI",
          "value": 8.750
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.917
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [1.740,1.670],
      "number_observations": 86640,
      "number_observations_unique": 3362,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.368
        },
        {
          "type": "R(meas)",
          "value": 0.375
        },
        {
          "type": "I/SigI",
          "value": 11.140
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.770
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [1.820,1.740],
      "number_observations": 81978,
      "number_observations_unique": 3230,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.266
        },
        {
          "type": "R(meas)",
          "value": 0.272
        },
        {
          "type": "I/SigI",
          "value": 14.440
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.380
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [1.910,1.820],
      "number_observations": 73711,
      "number_observations_unique": 3080,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.181
        },
        {
          "type": "R(meas)",
          "value": 0.185
        },
        {
          "type": "I/SigI",
          "value": 19.490
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.932
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [2.010,1.910],
      "number_observations": 71398,
      "number_observations_unique": 2938,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.137
        },
        {
          "type": "R(meas)",
          "value": 0.140
        },
        {
          "type": "I/SigI",
          "value": 24.630
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.302
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.130,2.010],
      "number_observations": 74152,
      "number_observations_unique": 2800,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "R(meas)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 31.010
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 26.483
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [2.280,2.130],
      "number_observations": 69102,
      "number_observations_unique": 2638,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "R(meas)",
          "value": 0.096
        },
        {
          "type": "I/SigI",
          "value": 35.550
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 26.195
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [2.460,2.280],
      "number_observations": 63898,
      "number_observations_unique": 2464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "R(meas)",
          "value": 0.087
        },
        {
          "type": "I/SigI",
          "value": 38.820
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.933
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [2.700,2.460],
      "number_observations": 54461,
      "number_observations_unique": 2272,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 41.220
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.971
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [3.020,2.700],
      "number_observations": 52143,
      "number_observations_unique": 2065,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 46.250
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.251
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [3.490,3.020],
      "number_observations": 48936,
      "number_observations_unique": 1847,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 51.780
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 26.495
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.270,3.490],
      "number_observations": 39777,
      "number_observations_unique": 1581,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 54.260
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.159
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [6.040,4.270],
      "number_observations": 28716,
      "number_observations_unique": 1252,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 52.230
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 22.936
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [46.365,6.040],
      "number_observations": 18054,
      "number_observations_unique": 746,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.063
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "I/SigI",
          "value": 54.190
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 24.201
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 46.365 46.365 1.420
High resolution limit [Å] 1.350 6.040 1.390
R(merge) 0.0900 0.0630 1.9860
R(meas) 0.0920 0.0640 2.0260
CC(1/2) 0.999 0.999 0.742
Completeness [%] 100.0 99.7 100.0
Multiplicity 25.2 24.2 25.7


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
46.365-6.040 0.0630 0.0640 0.999 99.7 24.2
6.040-4.270 0.0590 0.0610 0.998 100.0 22.9
4.270-3.490 0.0580 0.0590 0.999 100.0 25.2
3.490-3.020 0.0580 0.0590 0.999 100.0 26.5
3.020-2.700 0.0620 0.0630 0.999 100.0 25.3
2.700-2.460 0.0750 0.0770 0.999 100.0 24.0
2.460-2.280 0.0860 0.0870 0.999 100.0 25.9
2.280-2.130 0.0940 0.0960 0.999 100.0 26.2
2.130-2.010 0.1090 0.1110 0.999 100.0 26.5
2.010-1.910 0.1370 0.1400 0.998 100.0 24.3
1.910-1.820 0.1810 0.1850 0.997 100.0 23.9
1.820-1.740 0.2660 0.2720 0.993 100.0 25.4
1.740-1.670 0.3680 0.3750 0.988 100.0 25.8
1.670-1.610 0.4780 0.4880 0.981 100.0 25.9
1.610-1.560 0.6180 0.6310 0.965 100.0 25.2
1.560-1.510 0.8510 0.8700 0.940 100.0 23.2
1.510-1.460 1.1510 1.1750 0.896 99.9 24.7
1.460-1.420 1.5590 1.5910 0.818 100.0 25.4
1.420-1.390 1.9860 2.0260 0.742 100.0 25.7
1.390-1.350 2.5860 2.6380 0.626 99.9 25.6