Data quality metrics extracted from 4wt1.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": "6f390978b1f54e0a75a46d0beb28a596",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 209.9,
    "b": 447.9,
    "c": 621.5,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [250,3.050],
    "number_observations": 170925258,
    "number_observations_unique": 1097157,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.278
      },
      {
        "type": "I/SigI",
        "value": 27.900
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 155.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.150,3.050],
      "number_observations": 6762730,
      "number_observations_unique": 100127,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.486
        },
        {
          "type": "R(meas)",
          "value": 5.527
        },
        {
          "type": "I/SigI",
          "value": 1.080
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
      "resolution_limits": [3.300,3.150],
      "number_observations": 18076153,
      "number_observations_unique": 128687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.754
        },
        {
          "type": "R(meas)",
          "value": 3.768
        },
        {
          "type": "I/SigI",
          "value": 2.410
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [3.400,3.300],
      "number_observations": 11920245,
      "number_observations_unique": 73747,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.791
        },
        {
          "type": "R(meas)",
          "value": 2.799
        },
        {
          "type": "I/SigI",
          "value": 3.710
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [3.500,3.400],
      "number_observations": 11021028,
      "number_observations_unique": 65750,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.279
        },
        {
          "type": "R(meas)",
          "value": 2.285
        },
        {
          "type": "I/SigI",
          "value": 4.670
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.500],
      "number_observations": 38676080,
      "number_observations_unique": 238895,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.035
        },
        {
          "type": "R(meas)",
          "value": 1.039
        },
        {
          "type": "I/SigI",
          "value": 9.260
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.000],
      "number_observations": 39303170,
      "number_observations_unique": 237665,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.408
        },
        {
          "type": "R(meas)",
          "value": 0.410
        },
        {
          "type": "I/SigI",
          "value": 25.160
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [7.000,5.000],
      "number_observations": 29120669,
      "number_observations_unique": 159335,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.202
        },
        {
          "type": "R(meas)",
          "value": 0.203
        },
        {
          "type": "I/SigI",
          "value": 53.480
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [10.000,7.000],
      "number_observations": 10760764,
      "number_observations_unique": 60630,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "R(meas)",
          "value": 0.124
        },
        {
          "type": "I/SigI",
          "value": 86.120
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [20.000,10.000],
      "number_observations": 4668210,
      "number_observations_unique": 28215,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.080
        },
        {
          "type": "R(meas)",
          "value": 0.080
        },
        {
          "type": "I/SigI",
          "value": 117.140
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [50.000,20.000],
      "number_observations": 607698,
      "number_observations_unique": 3854,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 137.350
        },
        {
          "type": "Completeness",
          "value": 96.500
        }
      ]
    },
    {
      "resolution_limits": [100.000,50.000],
      "number_observations": 8402,
      "number_observations_unique": 229,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.088
        },
        {
          "type": "I/SigI",
          "value": 55.670
        },
        {
          "type": "Completeness",
          "value": 84.800
        }
      ]
    },
    {
      "resolution_limits": [150.000,100.000],
      "number_observations": 100,
      "number_observations_unique": 20,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 14.710
        },
        {
          "type": "Completeness",
          "value": 64.500
        }
      ]
    },
    {
      "resolution_limits": [250,150.000],
      "number_observations": 9,
      "number_observations_unique": 3,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        },
        {
          "type": "R(meas)",
          "value": 0.162
        },
        {
          "type": "I/SigI",
          "value": 16.450
        },
        {
          "type": "Completeness",
          "value": 20.000
        }
      ]
    }
  ]

}
  

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


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