Data quality metrics extracted from 5wof.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "898d3a4342cd3b231d117f0b6d33728a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 68.920,
    "b": 108.088,
    "c": 43.883,
    "alpha": 90.00,
    "beta": 115.11,
    "gamma": 90.00
  },
  "wavelengths": [1.54178],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,1.650],
    "number_observations_unique": 31482,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.025
      },
      {
        "type": "I/SigI",
        "value": 47.500
      },
      {
        "type": "Completeness",
        "value": 90.400
      },
      {
        "type": "Redundancy",
        "value": 2.78
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.710,1.650],
      "number_observations_unique": 2117,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "Completeness",
          "value": 60.700
        }
      ]
    },
    {
      "resolution_limits": [1.780,1.710],
      "number_observations_unique": 3005,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "Completeness",
          "value": 86.600
        }
      ]
    },
    {
      "resolution_limits": [1.860,1.780],
      "number_observations_unique": 3203,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "Completeness",
          "value": 92.100
        }
      ]
    },
    {
      "resolution_limits": [1.960,1.860],
      "number_observations_unique": 3194,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "Completeness",
          "value": 92.600
        }
      ]
    },
    {
      "resolution_limits": [2.080,1.960],
      "number_observations_unique": 3285,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "Completeness",
          "value": 93.800
        }
      ]
    },
    {
      "resolution_limits": [2.240,2.080],
      "number_observations_unique": 3288,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "Completeness",
          "value": 95.100
        }
      ]
    },
    {
      "resolution_limits": [2.460,2.241],
      "number_observations_unique": 3354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "Completeness",
          "value": 95.800
        }
      ]
    },
    {
      "resolution_limits": [2.820,2.461],
      "number_observations_unique": 3317,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "Completeness",
          "value": 96.300
        }
      ]
    },
    {
      "resolution_limits": [3.550,2.823],
      "number_observations_unique": 3364,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "Completeness",
          "value": 95.900
        }
      ]
    },
    {
      "resolution_limits": [30.000,3.555],
      "number_observations_unique": 3355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        },
        {
          "type": "Completeness",
          "value": 95.300
        }
      ]
    }
  ]

}
  

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


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