Data quality metrics extracted from 5bzz.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": "98fb64139870c8861ccdcd99391f5e68",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 207.17,
    "b": 207.39,
    "c": 87.78,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00001],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.364,2.200],
    "number_observations": 1293017,
    "number_observations_unique": 95899,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.150
      },
      {
        "type": "R(meas)",
        "value": 0.156
      },
      {
        "type": "I/SigI",
        "value": 13.960
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 13.48
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.300,2.200],
      "number_observations": 163197,
      "number_observations_unique": 11832,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.637
        },
        {
          "type": "R(meas)",
          "value": 2.739
        },
        {
          "type": "I/SigI",
          "value": 1.170
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.400,2.300],
      "number_observations": 134037,
      "number_observations_unique": 9953,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.956
        },
        {
          "type": "R(meas)",
          "value": 2.033
        },
        {
          "type": "I/SigI",
          "value": 1.630
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.500,2.400],
      "number_observations": 107706,
      "number_observations_unique": 8435,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.567
        },
        {
          "type": "R(meas)",
          "value": 1.632
        },
        {
          "type": "I/SigI",
          "value": 2.050
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.600,2.500],
      "number_observations": 96191,
      "number_observations_unique": 7198,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.250
        },
        {
          "type": "R(meas)",
          "value": 1.299
        },
        {
          "type": "I/SigI",
          "value": 2.650
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.800,2.600],
      "number_observations": 161522,
      "number_observations_unique": 11530,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.779
        },
        {
          "type": "R(meas)",
          "value": 0.808
        },
        {
          "type": "I/SigI",
          "value": 4.210
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.900,2.800],
      "number_observations": 64274,
      "number_observations_unique": 4620,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.493
        },
        {
          "type": "R(meas)",
          "value": 0.512
        },
        {
          "type": "I/SigI",
          "value": 6.490
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.900],
      "number_observations": 55999,
      "number_observations_unique": 4062,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.349
        },
        {
          "type": "R(meas)",
          "value": 0.362
        },
        {
          "type": "I/SigI",
          "value": 8.640
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.100,3.000],
      "number_observations": 47158,
      "number_observations_unique": 3510,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.308
        },
        {
          "type": "R(meas)",
          "value": 0.320
        },
        {
          "type": "I/SigI",
          "value": 9.530
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.100],
      "number_observations": 249220,
      "number_observations_unique": 18387,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "R(meas)",
          "value": 0.115
        },
        {
          "type": "I/SigI",
          "value": 22.270
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [6.000,4.000],
      "number_observations": 149789,
      "number_observations_unique": 11368,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 41.870
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [8.000,6.000],
      "number_observations": 37679,
      "number_observations_unique": 2852,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 42.130
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [10.000,8.000],
      "number_observations": 11729,
      "number_observations_unique": 1022,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 51.870
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [15.000,10.000],
      "number_observations": 10456,
      "number_observations_unique": 787,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 61.540
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [20.000,15.000],
      "number_observations": 2465,
      "number_observations_unique": 191,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 56.020
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [46.364,20.000],
      "number_observations": 1595,
      "number_observations_unique": 152,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 49.070
        },
        {
          "type": "Completeness",
          "value": 90.500
        }
      ]
    }
  ]

}
  

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


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