Data quality metrics extracted from 4u4z.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": "f7de38968a8090ee5dab5cefd9631b40",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 434.98,
    "b": 287.50,
    "c": 303.22,
    "alpha": 90.00,
    "beta": 98.85,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [299.60,3.100],
    "number_observations": 16964697,
    "number_observations_unique": 1327490,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.369
      },
      {
        "type": "R(meas)",
        "value": 0.383
      },
      {
        "type": "I/SigI",
        "value": 7.220
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 11.37
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.200,3.100],
      "number_observations": 1366869,
      "number_observations_unique": 120212,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.911
        },
        {
          "type": "R(meas)",
          "value": 3.047
        },
        {
          "type": "I/SigI",
          "value": 0.900
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.300,3.200],
      "number_observations": 1235777,
      "number_observations_unique": 106237,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.073
        },
        {
          "type": "R(meas)",
          "value": 2.167
        },
        {
          "type": "I/SigI",
          "value": 1.280
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.400,3.300],
      "number_observations": 1052916,
      "number_observations_unique": 94018,
      "quality_factors": [
        {
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          "value": 1.605
        },
        {
          "type": "R(meas)",
          "value": 1.682
        },
        {
          "type": "I/SigI",
          "value": 1.650
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.500,3.400],
      "number_observations": 972283,
      "number_observations_unique": 83588,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.260
        },
        {
          "type": "R(meas)",
          "value": 1.317
        },
        {
          "type": "I/SigI",
          "value": 2.150
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.600,3.500],
      "number_observations": 876253,
      "number_observations_unique": 74651,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.995
        },
        {
          "type": "R(meas)",
          "value": 1.040
        },
        {
          "type": "I/SigI",
          "value": 2.720
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.700,3.600],
      "number_observations": 773101,
      "number_observations_unique": 66814,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.815
        },
        {
          "type": "R(meas)",
          "value": 0.853
        },
        {
          "type": "I/SigI",
          "value": 3.320
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.800,3.700],
      "number_observations": 665765,
      "number_observations_unique": 59916,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.662
        },
        {
          "type": "R(meas)",
          "value": 0.694
        },
        {
          "type": "I/SigI",
          "value": 3.960
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.900,3.800],
      "number_observations": 624472,
      "number_observations_unique": 53904,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.558
        },
        {
          "type": "R(meas)",
          "value": 0.584
        },
        {
          "type": "I/SigI",
          "value": 4.780
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.900],
      "number_observations": 574112,
      "number_observations_unique": 48759,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.482
        },
        {
          "type": "R(meas)",
          "value": 0.503
        },
        {
          "type": "I/SigI",
          "value": 5.490
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.100,4.000],
      "number_observations": 513962,
      "number_observations_unique": 44099,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.424
        },
        {
          "type": "R(meas)",
          "value": 0.443
        },
        {
          "type": "I/SigI",
          "value": 6.180
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.200,4.100],
      "number_observations": 451131,
      "number_observations_unique": 39909,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.383
        },
        {
          "type": "R(meas)",
          "value": 0.401
        },
        {
          "type": "I/SigI",
          "value": 6.690
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.400,4.200],
      "number_observations": 802506,
      "number_observations_unique": 69535,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.330
        },
        {
          "type": "R(meas)",
          "value": 0.345
        },
        {
          "type": "I/SigI",
          "value": 7.660
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.600,4.400],
      "number_observations": 687351,
      "number_observations_unique": 57925,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.280
        },
        {
          "type": "R(meas)",
          "value": 0.293
        },
        {
          "type": "I/SigI",
          "value": 9.020
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.600],
      "number_observations": 1025730,
      "number_observations_unique": 89955,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.234
        },
        {
          "type": "R(meas)",
          "value": 0.245
        },
        {
          "type": "I/SigI",
          "value": 10.360
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [10.000,5.000],
      "number_observations": 4287723,
      "number_observations_unique": 277725,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.264
        },
        {
          "type": "R(meas)",
          "value": 0.271
        },
        {
          "type": "I/SigI",
          "value": 14.940
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [50.000,10.000],
      "number_observations": 1053559,
      "number_observations_unique": 39916,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.169
        },
        {
          "type": "R(meas)",
          "value": 0.172
        },
        {
          "type": "I/SigI",
          "value": 28.360
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [200.000,50.000],
      "number_observations": 1166,
      "number_observations_unique": 322,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "R(meas)",
          "value": 0.073
        },
        {
          "type": "I/SigI",
          "value": 18.140
        },
        {
          "type": "Completeness",
          "value": 93.900
        }
      ]
    },
    {
      "resolution_limits": [299.60,200.000],
      "number_observations": 21,
      "number_observations_unique": 5,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 7.693
        },
        {
          "type": "R(meas)",
          "value": 8.903
        },
        {
          "type": "I/SigI",
          "value": 0.100
        },
        {
          "type": "Completeness",
          "value": 71.400
        }
      ]
    }
  ]

}
  

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


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