Data quality metrics extracted from 4wzo.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": "1c0e31ebb73ef724e3b5b84f077cfdba",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 210.2,
    "b": 448.8,
    "c": 621.0,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [300,3.300],
    "number_observations": 35911012,
    "number_observations_unique": 871092,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.459
      },
      {
        "type": "R(meas)",
        "value": 0.465
      },
      {
        "type": "I/SigI",
        "value": 9.410
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 41.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.400,3.300],
      "number_observations": 1476094,
      "number_observations_unique": 74101,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.698
        },
        {
          "type": "R(meas)",
          "value": 3.795
        },
        {
          "type": "I/SigI",
          "value": 0.990
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.500,3.400],
      "number_observations": 1786757,
      "number_observations_unique": 65961,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.343
        },
        {
          "type": "R(meas)",
          "value": 3.407
        },
        {
          "type": "I/SigI",
          "value": 1.340
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.700,3.500],
      "number_observations": 3847423,
      "number_observations_unique": 111456,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.569
        },
        {
          "type": "R(meas)",
          "value": 2.607
        },
        {
          "type": "I/SigI",
          "value": 2.020
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.700],
      "number_observations": 4846492,
      "number_observations_unique": 128275,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.661
        },
        {
          "type": "R(meas)",
          "value": 1.683
        },
        {
          "type": "I/SigI",
          "value": 3.390
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.000],
      "number_observations": 10763184,
      "number_observations_unique": 238298,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.916
        },
        {
          "type": "R(meas)",
          "value": 0.926
        },
        {
          "type": "I/SigI",
          "value": 7.320
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [10.000,5.000],
      "number_observations": 11605102,
      "number_observations_unique": 220549,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.379
        },
        {
          "type": "R(meas)",
          "value": 0.383
        },
        {
          "type": "I/SigI",
          "value": 19.180
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [15.000,10.000],
      "number_observations": 1111205,
      "number_observations_unique": 22687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.140
        },
        {
          "type": "R(meas)",
          "value": 0.141
        },
        {
          "type": "I/SigI",
          "value": 40.750
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [50.000,15.000],
      "number_observations": 471173,
      "number_observations_unique": 9562,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "R(meas)",
          "value": 0.089
        },
        {
          "type": "I/SigI",
          "value": 48.960
        },
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
      "resolution_limits": [100.000,50.000],
      "number_observations": 3515,
      "number_observations_unique": 190,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        },
        {
          "type": "R(meas)",
          "value": 0.095
        },
        {
          "type": "I/SigI",
          "value": 33.350
        },
        {
          "type": "Completeness",
          "value": 70.400
        }
      ]
    },
    {
      "resolution_limits": [300,100.000],
      "number_observations": 67,
      "number_observations_unique": 13,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.079
        },
        {
          "type": "I/SigI",
          "value": 18.480
        },
        {
          "type": "Completeness",
          "value": 28.300
        }
      ]
    }
  ]

}
  

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


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