Data quality metrics extracted from 4w1x.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": "5447ba9d8a92627e563569c9cd8bee58",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 62.0,
    "b": 66.0,
    "c": 204.0,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.330,1.800],
    "number_observations": 478465,
    "number_observations_unique": 77334,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.098
      },
      {
        "type": "I/SigI",
        "value": 9.200
      },
      {
        "type": "Completeness",
        "value": 96.800
      },
      {
        "type": "Redundancy",
        "value": 6.060
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.860,1.800],
      "number_observations": 18396,
      "number_observations_unique": 6213,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.646
        },
        {
          "type": "I/SigI",
          "value": 1.600
        },
        {
          "type": "Completeness",
          "value": 79.000
        },
        {
          "type": "Redundancy",
          "value": 2.890
        }
      ]
    },
    {
      "resolution_limits": [1.940,1.860],
      "number_observations": 25120,
      "number_observations_unique": 7150,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.524
        },
        {
          "type": "I/SigI",
          "value": 2.200
        },
        {
          "type": "Completeness",
          "value": 90.700
        },
        {
          "type": "Redundancy",
          "value": 3.380
        }
      ]
    },
    {
      "resolution_limits": [2.030,1.940],
      "number_observations": 34265,
      "number_observations_unique": 7756,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.420
        },
        {
          "type": "I/SigI",
          "value": 2.900
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 4.180
        }
      ]
    },
    {
      "resolution_limits": [2.130,2.030],
      "number_observations": 50027,
      "number_observations_unique": 7850,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.345
        },
        {
          "type": "I/SigI",
          "value": 4.000
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 5.920
        }
      ]
    },
    {
      "resolution_limits": [2.270,2.130],
      "number_observations": 56073,
      "number_observations_unique": 7916,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.222
        },
        {
          "type": "I/SigI",
          "value": 6.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.040
        }
      ]
    },
    {
      "resolution_limits": [2.440,2.270],
      "number_observations": 57549,
      "number_observations_unique": 7966,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.211
        },
        {
          "type": "I/SigI",
          "value": 6.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.180
        }
      ]
    },
    {
      "resolution_limits": [2.690,2.440],
      "number_observations": 58452,
      "number_observations_unique": 7957,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.176
        },
        {
          "type": "I/SigI",
          "value": 7.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.310
        }
      ]
    },
    {
      "resolution_limits": [3.080,2.690],
      "number_observations": 59202,
      "number_observations_unique": 7994,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 10.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.360
        }
      ]
    },
    {
      "resolution_limits": [3.880,3.080],
      "number_observations": 59566,
      "number_observations_unique": 8110,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 15.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.280
        }
      ]
    },
    {
      "resolution_limits": [47.330,3.880],
      "number_observations": 59815,
      "number_observations_unique": 8422,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 22.100
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.010
        }
      ]
    }
  ]

}
  

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


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