Data quality metrics extracted from 7u2i.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": "83f601358373f10cb56d60c4d5d2cd08",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 210.17,
    "b": 450.98,
    "c": 624.13,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [153.740,2.550],
    "number_observations": 7719767,
    "number_observations_unique": 1887449,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.172
      },
      {
        "type": "R(meas)",
        "value": 0.197
      },
      {
        "type": "I/SigI",
        "value": 6.190
      },
      {
        "type": "Completeness",
        "value": 99.400
      },
      {
        "type": "Redundancy",
        "value": 4.090
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.620,2.550],
      "number_observations": 552877,
      "number_observations_unique": 139550,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.506
        },
        {
          "type": "R(meas)",
          "value": 1.736
        },
        {
          "type": "I/SigI",
          "value": 0.930
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.962
        },
        {
          "type": "CC(1/2)",
          "value": 0.189
        }
      ]
    },
    {
      "resolution_limits": [2.690,2.620],
      "number_observations": 539237,
      "number_observations_unique": 136103,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.233
        },
        {
          "type": "R(meas)",
          "value": 1.421
        },
        {
          "type": "I/SigI",
          "value": 1.120
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.962
        },
        {
          "type": "CC(1/2)",
          "value": 0.251
        }
      ]
    },
    {
      "resolution_limits": [2.770,2.690],
      "number_observations": 525083,
      "number_observations_unique": 132405,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.995
        },
        {
          "type": "R(meas)",
          "value": 1.147
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.966
        },
        {
          "type": "CC(1/2)",
          "value": 0.353
        }
      ]
    },
    {
      "resolution_limits": [2.850,2.770],
      "number_observations": 505945,
      "number_observations_unique": 127862,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.799
        },
        {
          "type": "R(meas)",
          "value": 0.921
        },
        {
          "type": "I/SigI",
          "value": 1.730
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.957
        },
        {
          "type": "CC(1/2)",
          "value": 0.465
        }
      ]
    },
    {
      "resolution_limits": [2.940,2.850],
      "number_observations": 468950,
      "number_observations_unique": 123237,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.583
        },
        {
          "type": "R(meas)",
          "value": 0.677
        },
        {
          "type": "I/SigI",
          "value": 2.280
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 3.805
        },
        {
          "type": "CC(1/2)",
          "value": 0.603
        }
      ]
    },
    {
      "resolution_limits": [3.050,2.940],
      "number_observations": 455609,
      "number_observations_unique": 120363,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.430
        },
        {
          "type": "R(meas)",
          "value": 0.500
        },
        {
          "type": "I/SigI",
          "value": 3.050
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.785
        },
        {
          "type": "CC(1/2)",
          "value": 0.734
        }
      ]
    },
    {
      "resolution_limits": [3.160,3.050],
      "number_observations": 498860,
      "number_observations_unique": 116396,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.338
        },
        {
          "type": "R(meas)",
          "value": 0.384
        },
        {
          "type": "I/SigI",
          "value": 4.350
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.286
        },
        {
          "type": "CC(1/2)",
          "value": 0.856
        }
      ]
    },
    {
      "resolution_limits": [3.290,3.160],
      "number_observations": 484659,
      "number_observations_unique": 112241,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.275
        },
        {
          "type": "R(meas)",
          "value": 0.312
        },
        {
          "type": "I/SigI",
          "value": 5.510
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.318
        },
        {
          "type": "CC(1/2)",
          "value": 0.896
        }
      ]
    },
    {
      "resolution_limits": [3.440,3.290],
      "number_observations": 462342,
      "number_observations_unique": 107622,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.237
        },
        {
          "type": "R(meas)",
          "value": 0.269
        },
        {
          "type": "I/SigI",
          "value": 6.490
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 4.296
        },
        {
          "type": "CC(1/2)",
          "value": 0.919
        }
      ]
    },
    {
      "resolution_limits": [3.610,3.440],
      "number_observations": 440088,
      "number_observations_unique": 102763,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.212
        },
        {
          "type": "R(meas)",
          "value": 0.241
        },
        {
          "type": "I/SigI",
          "value": 7.380
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 4.283
        },
        {
          "type": "CC(1/2)",
          "value": 0.931
        }
      ]
    },
    {
      "resolution_limits": [3.800,3.610],
      "number_observations": 414033,
      "number_observations_unique": 97749,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.188
        },
        {
          "type": "R(meas)",
          "value": 0.214
        },
        {
          "type": "I/SigI",
          "value": 8.440
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 4.236
        },
        {
          "type": "CC(1/2)",
          "value": 0.943
        }
      ]
    },
    {
      "resolution_limits": [4.030,3.800],
      "number_observations": 381710,
      "number_observations_unique": 92007,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.167
        },
        {
          "type": "R(meas)",
          "value": 0.191
        },
        {
          "type": "I/SigI",
          "value": 9.460
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 4.149
        },
        {
          "type": "CC(1/2)",
          "value": 0.953
        }
      ]
    },
    {
      "resolution_limits": [4.310,4.030],
      "number_observations": 331728,
      "number_observations_unique": 85438,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        },
        {
          "type": "R(meas)",
          "value": 0.171
        },
        {
          "type": "I/SigI",
          "value": 10.090
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 3.883
        },
        {
          "type": "CC(1/2)",
          "value": 0.957
        }
      ]
    },
    {
      "resolution_limits": [4.660,4.310],
      "number_observations": 322823,
      "number_observations_unique": 80345,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "R(meas)",
          "value": 0.153
        },
        {
          "type": "I/SigI",
          "value": 11.240
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 4.018
        },
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    },
    {
      "resolution_limits": [5.100,4.660],
      "number_observations": 324888,
      "number_observations_unique": 74391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "R(meas)",
          "value": 0.140
        },
        {
          "type": "I/SigI",
          "value": 12.520
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 4.367
        },
        {
          "type": "CC(1/2)",
          "value": 0.973
        }
      ]
    },
    {
      "resolution_limits": [5.700,5.100],
      "number_observations": 292866,
      "number_observations_unique": 67511,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "R(meas)",
          "value": 0.124
        },
        {
          "type": "I/SigI",
          "value": 13.240
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 4.338
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [6.580,5.700],
      "number_observations": 257763,
      "number_observations_unique": 59722,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.100
        },
        {
          "type": "R(meas)",
          "value": 0.114
        },
        {
          "type": "I/SigI",
          "value": 13.320
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 4.316
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [8.060,6.580],
      "number_observations": 205703,
      "number_observations_unique": 50629,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "R(meas)",
          "value": 0.096
        },
        {
          "type": "I/SigI",
          "value": 13.850
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 4.063
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [11.400,8.060],
      "number_observations": 158883,
      "number_observations_unique": 38902,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 15.340
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 4.084
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [153.740,11.400],
      "number_observations": 95720,
      "number_observations_unique": 22213,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 17.350
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 4.309
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 153.740 153.740 2.690
High resolution limit [Å] 2.550 11.400 2.620
R(merge) 0.1720 0.0570 1.2330
R(meas) 0.1970 0.0650 1.4210
CC(1/2) 0.988 0.993 0.251
Completeness [%] 99.4 99.3 99.8
Multiplicity 5.1 4.3 4.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
153.740-11.400 0.0570 0.0650 0.993 99.3 4.3
11.400-8.060 0.0680 0.0770 0.991 98.0 5.1
8.060-6.580 0.0840 0.0960 0.986 99.3 5.1
6.580-5.700 0.1000 0.1140 0.982 99.4 4.3
5.700-5.100 0.1090 0.1240 0.978 99.3 4.3
5.100-4.660 0.1240 0.1400 0.973 99.2 4.4
4.660-4.310 0.1340 0.1530 0.966 98.7 4.0
4.310-4.030 0.1480 0.1710 0.957 97.9 3.9
4.030-3.800 0.1670 0.1910 0.953 99.1 4.1
3.800-3.610 0.1880 0.2140 0.943 99.7 4.2
3.610-3.440 0.2120 0.2410 0.931 99.8 4.3
3.440-3.290 0.2370 0.2690 0.919 99.8 4.3
3.290-3.160 0.2750 0.3120 0.896 99.9 4.3
3.160-3.050 0.3380 0.3840 0.856 99.9 4.3
3.050-2.940 0.4300 0.5000 0.734 99.6 3.8
2.940-2.850 0.5830 0.6770 0.603 98.7 3.8
2.850-2.770 0.7990 0.9210 0.465 99.3 4.0
2.770-2.690 0.9950 1.1470 0.353 99.8 4.0
2.690-2.620 1.2330 1.4210 0.251 99.8 4.0
2.620-2.550 1.5060 1.7360 0.189 99.8 4.0