Data quality metrics extracted from 4u56.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": "3831f9453f5d819d27f2f8a32b7af030",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 435.64,
    "b": 286.76,
    "c": 303.26,
    "alpha": 90.00,
    "beta": 98.72,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [299.756,3.450],
    "number_observations": 11680579,
    "number_observations_unique": 963389,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.448
      },
      {
        "type": "R(meas)",
        "value": 0.468
      },
      {
        "type": "I/SigI",
        "value": 5.960
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 11.29
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.550,3.450],
      "number_observations": 890074,
      "number_observations_unique": 78826,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.179
        },
        {
          "type": "R(meas)",
          "value": 3.330
        },
        {
          "type": "I/SigI",
          "value": 1.010
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.650,3.550],
      "number_observations": 803683,
      "number_observations_unique": 70500,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.399
        },
        {
          "type": "R(meas)",
          "value": 2.511
        },
        {
          "type": "I/SigI",
          "value": 1.280
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.750,3.650],
      "number_observations": 743114,
      "number_observations_unique": 63205,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.797
        },
        {
          "type": "R(meas)",
          "value": 1.879
        },
        {
          "type": "I/SigI",
          "value": 1.690
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.850,3.750],
      "number_observations": 659617,
      "number_observations_unique": 56793,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.512
        },
        {
          "type": "R(meas)",
          "value": 1.581
        },
        {
          "type": "I/SigI",
          "value": 2.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.850],
      "number_observations": 837466,
      "number_observations_unique": 74996,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.232
        },
        {
          "type": "R(meas)",
          "value": 1.291
        },
        {
          "type": "I/SigI",
          "value": 2.420
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.200,4.000],
      "number_observations": 981868,
      "number_observations_unique": 83990,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.963
        },
        {
          "type": "R(meas)",
          "value": 1.007
        },
        {
          "type": "I/SigI",
          "value": 3.130
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.400,4.200],
      "number_observations": 797017,
      "number_observations_unique": 69486,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.783
        },
        {
          "type": "R(meas)",
          "value": 0.819
        },
        {
          "type": "I/SigI",
          "value": 3.830
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.600,4.400],
      "number_observations": 660945,
      "number_observations_unique": 57939,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.632
        },
        {
          "type": "R(meas)",
          "value": 0.662
        },
        {
          "type": "I/SigI",
          "value": 4.640
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.800,4.600],
      "number_observations": 574725,
      "number_observations_unique": 48648,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.527
        },
        {
          "type": "R(meas)",
          "value": 0.551
        },
        {
          "type": "I/SigI",
          "value": 5.570
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.800],
      "number_observations": 476881,
      "number_observations_unique": 41158,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.468
        },
        {
          "type": "R(meas)",
          "value": 0.490
        },
        {
          "type": "I/SigI",
          "value": 6.170
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [8.000,5.000],
      "number_observations": 2768763,
      "number_observations_unique": 239684,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.303
        },
        {
          "type": "R(meas)",
          "value": 0.317
        },
        {
          "type": "I/SigI",
          "value": 8.990
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [9.000,8.000],
      "number_observations": 446088,
      "number_observations_unique": 23131,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.367
        },
        {
          "type": "R(meas)",
          "value": 0.377
        },
        {
          "type": "I/SigI",
          "value": 15.730
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [10.000,9.000],
      "number_observations": 279500,
      "number_observations_unique": 14800,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.266
        },
        {
          "type": "R(meas)",
          "value": 0.274
        },
        {
          "type": "I/SigI",
          "value": 18.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [50.000,10.000],
      "number_observations": 758713,
      "number_observations_unique": 39900,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        },
        {
          "type": "R(meas)",
          "value": 0.130
        },
        {
          "type": "I/SigI",
          "value": 26.150
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [200.000,50.000],
      "number_observations": 2117,
      "number_observations_unique": 329,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 33.930
        },
        {
          "type": "Completeness",
          "value": 95.900
        }
      ]
    },
    {
      "resolution_limits": [400.000,200.000],
      "number_observations": 8,
      "number_observations_unique": 4,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.096
        },
        {
          "type": "I/SigI",
          "value": 8.650
        },
        {
          "type": "Completeness",
          "value": 66.700
        }
      ]
    },
    {
      "resolution_limits": [299.756,400.000],
      "quality_factors": [

      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 299.756 400.000 3.650
High resolution limit [Å] 3.450 200.000 3.550
R(merge) 0.4480 0.0680 2.3990
R(meas) 0.4680 0.0960 2.5110
Completeness [%] 100.0 66.7 100.0
Multiplicity 11.3 - -


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

Resolution [Å] R(merge) R(meas) Completeness [%]
400.000-200.000 0.0680 0.0960 66.7
299.756-400.000 - - -
200.000-50.000 0.0310 0.0350 95.9
50.000-10.000 0.1270 0.1300 100.0
10.000-9.000 0.2660 0.2740 100.0
9.000-8.000 0.3670 0.3770 100.0
8.000-5.000 0.3030 0.3170 100.0
5.000-4.800 0.4680 0.4900 100.0
4.800-4.600 0.5270 0.5510 100.0
4.600-4.400 0.6320 0.6620 100.0
4.400-4.200 0.7830 0.8190 100.0
4.200-4.000 0.9630 1.0070 100.0
4.000-3.850 1.2320 1.2910 100.0
3.850-3.750 1.5120 1.5810 100.0
3.750-3.650 1.7970 1.8790 100.0
3.650-3.550 2.3990 2.5110 100.0
3.550-3.450 3.1790 3.3300 100.0