Data quality metrics extracted from 5e81.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": "57ed30523c932bd1aeb125ac34f98285",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 209.2,
    "b": 448.5,
    "c": 619.9,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [170,2.950],
    "number_observations": 67576455,
    "number_observations_unique": 1208590,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.319
      },
      {
        "type": "R(meas)",
        "value": 0.322
      },
      {
        "type": "I/SigI",
        "value": 15.380
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 55.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.030,2.950],
      "number_observations": 4972392,
      "number_observations_unique": 88967,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.191
        },
        {
          "type": "R(meas)",
          "value": 5.237
        },
        {
          "type": "I/SigI",
          "value": 1.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.110,3.030],
      "number_observations": 4915187,
      "number_observations_unique": 86609,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.807
        },
        {
          "type": "R(meas)",
          "value": 3.841
        },
        {
          "type": "I/SigI",
          "value": 1.540
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.200,3.110],
      "number_observations": 4780241,
      "number_observations_unique": 84331,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.797
        },
        {
          "type": "R(meas)",
          "value": 2.822
        },
        {
          "type": "I/SigI",
          "value": 2.250
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.300,3.200],
      "number_observations": 4571161,
      "number_observations_unique": 81959,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.139
        },
        {
          "type": "R(meas)",
          "value": 2.158
        },
        {
          "type": "I/SigI",
          "value": 3.020
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.410,3.300],
      "number_observations": 4145920,
      "number_observations_unique": 79427,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.659
        },
        {
          "type": "R(meas)",
          "value": 1.675
        },
        {
          "type": "I/SigI",
          "value": 3.820
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.530,3.410],
      "number_observations": 4391042,
      "number_observations_unique": 76862,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.383
        },
        {
          "type": "R(meas)",
          "value": 1.396
        },
        {
          "type": "I/SigI",
          "value": 4.850
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.660,3.530],
      "number_observations": 4285737,
      "number_observations_unique": 74230,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.069
        },
        {
          "type": "R(meas)",
          "value": 1.079
        },
        {
          "type": "I/SigI",
          "value": 6.330
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.810,3.660],
      "number_observations": 4082228,
      "number_observations_unique": 71514,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.786
        },
        {
          "type": "R(meas)",
          "value": 0.793
        },
        {
          "type": "I/SigI",
          "value": 8.380
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.980,3.810],
      "number_observations": 3865962,
      "number_observations_unique": 68536,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.586
        },
        {
          "type": "R(meas)",
          "value": 0.591
        },
        {
          "type": "I/SigI",
          "value": 10.890
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.170,3.980],
      "number_observations": 3495821,
      "number_observations_unique": 65587,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.460
        },
        {
          "type": "R(meas)",
          "value": 0.464
        },
        {
          "type": "I/SigI",
          "value": 13.110
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.400,4.170],
      "number_observations": 3460589,
      "number_observations_unique": 62418,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.364
        },
        {
          "type": "R(meas)",
          "value": 0.367
        },
        {
          "type": "I/SigI",
          "value": 16.590
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.660,4.400],
      "number_observations": 3433743,
      "number_observations_unique": 59160,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.296
        },
        {
          "type": "R(meas)",
          "value": 0.299
        },
        {
          "type": "I/SigI",
          "value": 20.670
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.990,4.660],
      "number_observations": 3172693,
      "number_observations_unique": 55614,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.247
        },
        {
          "type": "R(meas)",
          "value": 0.249
        },
        {
          "type": "I/SigI",
          "value": 24.080
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.390,4.990],
      "number_observations": 2856422,
      "number_observations_unique": 51812,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.198
        },
        {
          "type": "R(meas)",
          "value": 0.199
        },
        {
          "type": "I/SigI",
          "value": 28.520
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.900,5.390],
      "number_observations": 2584380,
      "number_observations_unique": 47762,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.167
        },
        {
          "type": "R(meas)",
          "value": 0.169
        },
        {
          "type": "I/SigI",
          "value": 32.260
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [6.600,5.900],
      "number_observations": 2515290,
      "number_observations_unique": 43325,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.154
        },
        {
          "type": "R(meas)",
          "value": 0.155
        },
        {
          "type": "I/SigI",
          "value": 36.110
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [7.620,6.600],
      "number_observations": 2146496,
      "number_observations_unique": 38275,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        },
        {
          "type": "R(meas)",
          "value": 0.122
        },
        {
          "type": "I/SigI",
          "value": 43.480
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [9.330,7.620],
      "number_observations": 1731295,
      "number_observations_unique": 32527,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "R(meas)",
          "value": 0.095
        },
        {
          "type": "I/SigI",
          "value": 52.510
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [13.190,9.330],
      "number_observations": 1432326,
      "number_observations_unique": 25386,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 71.020
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [170,13.190],
      "number_observations": 737530,
      "number_observations_unique": 14289,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 85.000
        },
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 170.000 170.000 3.110
High resolution limit [Å] 2.950 13.190 3.030
R(merge) 0.3190 0.0460 3.8070
R(meas) 0.3220 0.0460 3.8410
Completeness [%] 100.0 99.5 100.0
Multiplicity 55.9 - -


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

Resolution [Å] R(merge) R(meas) Completeness [%]
170.000-13.190 0.0460 0.0460 99.5
13.190-9.330 0.0670 0.0680 100.0
9.330-7.620 0.0940 0.0950 100.0
7.620-6.600 0.1210 0.1220 100.0
6.600-5.900 0.1540 0.1550 100.0
5.900-5.390 0.1670 0.1690 100.0
5.390-4.990 0.1980 0.1990 100.0
4.990-4.660 0.2470 0.2490 100.0
4.660-4.400 0.2960 0.2990 100.0
4.400-4.170 0.3640 0.3670 100.0
4.170-3.980 0.4600 0.4640 100.0
3.980-3.810 0.5860 0.5910 100.0
3.810-3.660 0.7860 0.7930 100.0
3.660-3.530 1.0690 1.0790 100.0
3.530-3.410 1.3830 1.3960 100.0
3.410-3.300 1.6590 1.6750 100.0
3.300-3.200 2.1390 2.1580 100.0
3.200-3.110 2.7970 2.8220 100.0
3.110-3.030 3.8070 3.8410 100.0
3.030-2.950 5.1910 5.2370 100.0