Data quality metrics extracted from 4u51.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": "45839feece6d3a1df022af2fa59f09db",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 435.34,
    "b": 287.00,
    "c": 303.36,
    "alpha": 90.00,
    "beta": 98.98,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.18,3.200],
    "number_observations": 7685659,
    "number_observations_unique": 1205730,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.303
      },
      {
        "type": "R(meas)",
        "value": 0.331
      },
      {
        "type": "I/SigI",
        "value": 6.470
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 6.46
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.300,3.200],
      "number_observations": 685573,
      "number_observations_unique": 106046,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.189
        },
        {
          "type": "R(meas)",
          "value": 2.385
        },
        {
          "type": "I/SigI",
          "value": 0.910
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.400,3.300],
      "number_observations": 583669,
      "number_observations_unique": 93964,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.693
        },
        {
          "type": "R(meas)",
          "value": 1.853
        },
        {
          "type": "I/SigI",
          "value": 1.170
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.500,3.400],
      "number_observations": 539785,
      "number_observations_unique": 83615,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.312
        },
        {
          "type": "R(meas)",
          "value": 1.429
        },
        {
          "type": "I/SigI",
          "value": 1.520
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.600,3.500],
      "number_observations": 483784,
      "number_observations_unique": 74493,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.028
        },
        {
          "type": "R(meas)",
          "value": 1.120
        },
        {
          "type": "I/SigI",
          "value": 1.920
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.800,3.600],
      "number_observations": 793415,
      "number_observations_unique": 126542,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.765
        },
        {
          "type": "R(meas)",
          "value": 0.836
        },
        {
          "type": "I/SigI",
          "value": 2.560
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.800],
      "number_observations": 662853,
      "number_observations_unique": 102676,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.524
        },
        {
          "type": "R(meas)",
          "value": 0.571
        },
        {
          "type": "I/SigI",
          "value": 3.690
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.000],
      "number_observations": 1914297,
      "number_observations_unique": 301149,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.283
        },
        {
          "type": "R(meas)",
          "value": 0.309
        },
        {
          "type": "I/SigI",
          "value": 6.470
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [10.000,5.000],
      "number_observations": 1778219,
      "number_observations_unique": 277471,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "R(meas)",
          "value": 0.136
        },
        {
          "type": "I/SigI",
          "value": 13.060
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [20.000,10.000],
      "number_observations": 216397,
      "number_observations_unique": 35056,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 25.460
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [30.000,20.000],
      "number_observations": 22240,
      "number_observations_unique": 3596,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 32.970
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [40.000,30.000],
      "number_observations": 4723,
      "number_observations_unique": 866,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 33.330
        },
        {
          "type": "Completeness",
          "value": 98.300
        }
      ]
    },
    {
      "resolution_limits": [49.18,40.000],
      "number_observations": 704,
      "number_observations_unique": 256,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 12.410
        },
        {
          "type": "Completeness",
          "value": 37.800
        }
      ]
    }
  ]

}
  

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


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