Data quality metrics extracted from 7rqe.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": "95975c4720ba7811cb2f83424026e627",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 209.81,
    "b": 449.56,
    "c": 621.47,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [211.380,2.400],
    "number_observations": 20837902,
    "number_observations_unique": 2250029,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.246
      },
      {
        "type": "R(meas)",
        "value": 0.261
      },
      {
        "type": "I/SigI",
        "value": 7.950
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 9.261
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.460,2.400],
      "number_observations": 1454562,
      "number_observations_unique": 165237,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.342
        },
        {
          "type": "R(meas)",
          "value": 2.498
        },
        {
          "type": "I/SigI",
          "value": 0.850
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 8.803
        },
        {
          "type": "CC(1/2)",
          "value": 0.159
        }
      ]
    },
    {
      "resolution_limits": [2.530,2.460],
      "number_observations": 1538732,
      "number_observations_unique": 161791,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.917
        },
        {
          "type": "R(meas)",
          "value": 2.034
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 9.511
        },
        {
          "type": "CC(1/2)",
          "value": 0.238
        }
      ]
    },
    {
      "resolution_limits": [2.600,2.530],
      "number_observations": 1501983,
      "number_observations_unique": 157304,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.524
        },
        {
          "type": "R(meas)",
          "value": 1.616
        },
        {
          "type": "I/SigI",
          "value": 1.390
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 9.548
        },
        {
          "type": "CC(1/2)",
          "value": 0.312
        }
      ]
    },
    {
      "resolution_limits": [2.680,2.600],
      "number_observations": 1465662,
      "number_observations_unique": 153002,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.242
        },
        {
          "type": "R(meas)",
          "value": 1.317
        },
        {
          "type": "I/SigI",
          "value": 1.710
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 9.579
        },
        {
          "type": "CC(1/2)",
          "value": 0.418
        }
      ]
    },
    {
      "resolution_limits": [2.770,2.680],
      "number_observations": 1408548,
      "number_observations_unique": 148377,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.991
        },
        {
          "type": "R(meas)",
          "value": 1.051
        },
        {
          "type": "I/SigI",
          "value": 2.150
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 9.493
        },
        {
          "type": "CC(1/2)",
          "value": 0.539
        }
      ]
    },
    {
      "resolution_limits": [2.870,2.770],
      "number_observations": 1347883,
      "number_observations_unique": 143483,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.774
        },
        {
          "type": "R(meas)",
          "value": 0.822
        },
        {
          "type": "I/SigI",
          "value": 2.760
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 9.394
        },
        {
          "type": "CC(1/2)",
          "value": 0.673
        }
      ]
    },
    {
      "resolution_limits": [2.980,2.870],
      "number_observations": 1261295,
      "number_observations_unique": 138264,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.570
        },
        {
          "type": "R(meas)",
          "value": 0.607
        },
        {
          "type": "I/SigI",
          "value": 3.710
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 9.122
        },
        {
          "type": "CC(1/2)",
          "value": 0.790
        }
      ]
    },
    {
      "resolution_limits": [3.100,2.980],
      "number_observations": 1136006,
      "number_observations_unique": 132629,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.401
        },
        {
          "type": "R(meas)",
          "value": 0.429
        },
        {
          "type": "I/SigI",
          "value": 5.140
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 8.565
        },
        {
          "type": "CC(1/2)",
          "value": 0.901
        }
      ]
    },
    {
      "resolution_limits": [3.240,3.100],
      "number_observations": 1259483,
      "number_observations_unique": 127983,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.311
        },
        {
          "type": "R(meas)",
          "value": 0.330
        },
        {
          "type": "I/SigI",
          "value": 7.470
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 9.841
        },
        {
          "type": "CC(1/2)",
          "value": 0.933
        }
      ]
    },
    {
      "resolution_limits": [3.390,3.240],
      "number_observations": 1196405,
      "number_observations_unique": 122332,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.257
        },
        {
          "type": "R(meas)",
          "value": 0.272
        },
        {
          "type": "I/SigI",
          "value": 9.250
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 9.780
        },
        {
          "type": "CC(1/2)",
          "value": 0.950
        }
      ]
    },
    {
      "resolution_limits": [3.580,3.390],
      "number_observations": 1116156,
      "number_observations_unique": 116370,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.226
        },
        {
          "type": "R(meas)",
          "value": 0.239
        },
        {
          "type": "I/SigI",
          "value": 10.680
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 9.591
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [3.790,3.580],
      "number_observations": 1031735,
      "number_observations_unique": 110190,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.196
        },
        {
          "type": "R(meas)",
          "value": 0.207
        },
        {
          "type": "I/SigI",
          "value": 12.520
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 9.363
        },
        {
          "type": "CC(1/2)",
          "value": 0.974
        }
      ]
    },
    {
      "resolution_limits": [4.060,3.790],
      "number_observations": 936351,
      "number_observations_unique": 103616,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.172
        },
        {
          "type": "R(meas)",
          "value": 0.183
        },
        {
          "type": "I/SigI",
          "value": 14.360
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 9.037
        },
        {
          "type": "CC(1/2)",
          "value": 0.979
        }
      ]
    },
    {
      "resolution_limits": [4.380,4.060],
      "number_observations": 814266,
      "number_observations_unique": 96294,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.155
        },
        {
          "type": "R(meas)",
          "value": 0.165
        },
        {
          "type": "I/SigI",
          "value": 15.570
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 8.456
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [4.800,4.380],
      "number_observations": 749625,
      "number_observations_unique": 88345,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.140
        },
        {
          "type": "R(meas)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 17.140
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 8.485
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [5.370,4.800],
      "number_observations": 747979,
      "number_observations_unique": 80619,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.128
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 19.310
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 9.278
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [6.200,5.370],
      "number_observations": 662323,
      "number_observations_unique": 71190,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "R(meas)",
          "value": 0.119
        },
        {
          "type": "I/SigI",
          "value": 20.020
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 9.304
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [7.590,6.200],
      "number_observations": 557404,
      "number_observations_unique": 60294,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "R(meas)",
          "value": 0.102
        },
        {
          "type": "I/SigI",
          "value": 20.520
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 9.245
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [10.730,7.590],
      "number_observations": 403256,
      "number_observations_unique": 46460,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "R(meas)",
          "value": 0.080
        },
        {
          "type": "I/SigI",
          "value": 22.600
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 8.680
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [211.380,10.730],
      "number_observations": 248248,
      "number_observations_unique": 26249,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 26.810
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 9.457
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 211.380 211.380 2.530
High resolution limit [Å] 2.400 10.730 2.460
R(merge) 0.2460 0.0560 1.9170
R(meas) 0.2610 0.0590 2.0340
CC(1/2) 0.989 - 0.238
Completeness [%] 99.8 99.0 99.9
Multiplicity 9.3 9.5 9.5


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
211.380-10.730 0.0560 0.0590 - 99.0 9.5
10.730-7.590 0.0750 0.0800 0.996 98.6 8.7
7.590-6.200 0.0960 0.1020 0.996 99.7 9.2
6.200-5.370 0.1130 0.1190 0.994 99.8 9.3
5.370-4.800 0.1280 0.1350 0.992 99.9 9.3
4.800-4.380 0.1400 0.1490 0.990 99.3 8.5
4.380-4.060 0.1550 0.1650 0.984 99.7 8.5
4.060-3.790 0.1720 0.1830 0.979 99.9 9.0
3.790-3.580 0.1960 0.2070 0.974 100.0 9.4
3.580-3.390 0.2260 0.2390 0.965 100.0 9.6
3.390-3.240 0.2570 0.2720 0.950 100.0 9.8
3.240-3.100 0.3110 0.3300 0.933 100.0 9.8
3.100-2.980 0.4010 0.4290 0.901 99.4 8.6
2.980-2.870 0.5700 0.6070 0.790 99.9 9.1
2.870-2.770 0.7740 0.8220 0.673 100.0 9.4
2.770-2.680 0.9910 1.0510 0.539 100.0 9.5
2.680-2.600 1.2420 1.3170 0.418 100.0 9.6
2.600-2.530 1.5240 1.6160 0.312 100.0 9.5
2.530-2.460 1.9170 2.0340 0.238 99.9 9.5
2.460-2.400 2.3420 2.4980 0.159 99.4 8.8