Data quality metrics extracted from 4u52.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": "4d624ac04cc7537b8492da8784720716",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 435.39,
    "b": 286.22,
    "c": 303.33,
    "alpha": 90.00,
    "beta": 98.97,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [299.62,3.000],
    "number_observations": 16309527,
    "number_observations_unique": 1459484,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.273
      },
      {
        "type": "R(meas)",
        "value": 0.285
      },
      {
        "type": "I/SigI",
        "value": 8.750
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 10.40
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.100,3.000],
      "number_observations": 1418519,
      "number_observations_unique": 136425,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.240
        },
        {
          "type": "R(meas)",
          "value": 2.356
        },
        {
          "type": "I/SigI",
          "value": 1.260
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.200,3.100],
      "number_observations": 1219394,
      "number_observations_unique": 119783,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.508
        },
        {
          "type": "R(meas)",
          "value": 1.588
        },
        {
          "type": "I/SigI",
          "value": 1.810
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.300,3.200],
      "number_observations": 1114771,
      "number_observations_unique": 105860,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.119
        },
        {
          "type": "R(meas)",
          "value": 1.176
        },
        {
          "type": "I/SigI",
          "value": 2.420
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.400,3.300],
      "number_observations": 966737,
      "number_observations_unique": 93749,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.891
        },
        {
          "type": "R(meas)",
          "value": 0.938
        },
        {
          "type": "I/SigI",
          "value": 3.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.500,3.400],
      "number_observations": 852588,
      "number_observations_unique": 83357,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.730
        },
        {
          "type": "R(meas)",
          "value": 0.768
        },
        {
          "type": "I/SigI",
          "value": 3.640
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.600,3.500],
      "number_observations": 788484,
      "number_observations_unique": 74350,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.595
        },
        {
          "type": "R(meas)",
          "value": 0.626
        },
        {
          "type": "I/SigI",
          "value": 4.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.700,3.600],
      "number_observations": 698367,
      "number_observations_unique": 66567,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.498
        },
        {
          "type": "R(meas)",
          "value": 0.524
        },
        {
          "type": "I/SigI",
          "value": 5.280
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.800,3.700],
      "number_observations": 608726,
      "number_observations_unique": 59709,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.418
        },
        {
          "type": "R(meas)",
          "value": 0.440
        },
        {
          "type": "I/SigI",
          "value": 6.140
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.900,3.800],
      "number_observations": 546233,
      "number_observations_unique": 53759,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.355
        },
        {
          "type": "R(meas)",
          "value": 0.374
        },
        {
          "type": "I/SigI",
          "value": 7.060
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.900],
      "number_observations": 513244,
      "number_observations_unique": 48561,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.316
        },
        {
          "type": "R(meas)",
          "value": 0.332
        },
        {
          "type": "I/SigI",
          "value": 7.940
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.200,4.000],
      "number_observations": 873080,
      "number_observations_unique": 83789,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.270
        },
        {
          "type": "R(meas)",
          "value": 0.284
        },
        {
          "type": "I/SigI",
          "value": 9.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.600,4.200],
      "number_observations": 1322114,
      "number_observations_unique": 127017,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.212
        },
        {
          "type": "R(meas)",
          "value": 0.223
        },
        {
          "type": "I/SigI",
          "value": 11.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.600],
      "number_observations": 919106,
      "number_observations_unique": 89629,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.168
        },
        {
          "type": "R(meas)",
          "value": 0.177
        },
        {
          "type": "I/SigI",
          "value": 13.270
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [8.000,5.000],
      "number_observations": 2500173,
      "number_observations_unique": 238993,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        },
        {
          "type": "R(meas)",
          "value": 0.134
        },
        {
          "type": "I/SigI",
          "value": 16.930
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [9.000,8.000],
      "number_observations": 583778,
      "number_observations_unique": 23047,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.279
        },
        {
          "type": "R(meas)",
          "value": 0.285
        },
        {
          "type": "I/SigI",
          "value": 23.970
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [10.000,9.000],
      "number_observations": 380237,
      "number_observations_unique": 14756,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.214
        },
        {
          "type": "R(meas)",
          "value": 0.218
        },
        {
          "type": "I/SigI",
          "value": 27.320
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [50.000,10.000],
      "number_observations": 1002080,
      "number_observations_unique": 39793,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "R(meas)",
          "value": 0.127
        },
        {
          "type": "I/SigI",
          "value": 34.250
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [200.000,50.000],
      "number_observations": 1863,
      "number_observations_unique": 334,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 22.300
        },
        {
          "type": "Completeness",
          "value": 97.400
        }
      ]
    },
    {
      "resolution_limits": [299.62,200.000],
      "number_observations": 33,
      "number_observations_unique": 6,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.811
        },
        {
          "type": "R(meas)",
          "value": 0.900
        },
        {
          "type": "I/SigI",
          "value": 2.380
        },
        {
          "type": "Completeness",
          "value": 85.700
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 299.620 299.620 3.200
High resolution limit [Å] 3.000 200.000 3.100
R(merge) 0.2730 0.8110 1.5080
R(meas) 0.2850 0.9000 1.5880
Completeness [%] 100.0 85.7 100.0
Multiplicity 10.4 - -


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

Resolution [Å] R(merge) R(meas) Completeness [%]
299.620-200.000 0.8110 0.9000 85.7
200.000-50.000 0.0520 0.0580 97.4
50.000-10.000 0.1240 0.1270 100.0
10.000-9.000 0.2140 0.2180 100.0
9.000-8.000 0.2790 0.2850 100.0
8.000-5.000 0.1270 0.1340 100.0
5.000-4.600 0.1680 0.1770 100.0
4.600-4.200 0.2120 0.2230 100.0
4.200-4.000 0.2700 0.2840 100.0
4.000-3.900 0.3160 0.3320 100.0
3.900-3.800 0.3550 0.3740 100.0
3.800-3.700 0.4180 0.4400 100.0
3.700-3.600 0.4980 0.5240 100.0
3.600-3.500 0.5950 0.6260 100.0
3.500-3.400 0.7300 0.7680 100.0
3.400-3.300 0.8910 0.9380 100.0
3.300-3.200 1.1190 1.1760 100.0
3.200-3.100 1.5080 1.5880 100.0
3.100-3.000 2.2400 2.3560 100.0