Data quality metrics extracted from 6wdp.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": "aa309f32b288641453e59eecff421d3c",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 55.78,
    "b": 55.78,
    "c": 182.01,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000,0.97920,0.91840,0.97980],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.19,2.01],
    "number_observations_unique": 19869,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1033
      },
      {
        "type": "R(meas)",
        "value": 0.1084
      },
      {
        "type": "R(pim)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 13.8
      },
      {
        "type": "Completeness",
        "value": 98.84
      },
      {
        "type": "Redundancy",
        "value": 11
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.082,2.01],
      "number_observations_unique": 1861,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.685
        },
        {
          "type": "R(meas)",
          "value": 1.789
        },
        {
          "type": "R(pim)",
          "value": 0.5814
        },
        {
          "type": "I/SigI",
          "value": 1.16
        },
        {
          "type": "Completeness",
          "value": 94.03
        },
        {
          "type": "Redundancy",
          "value": 9
        },
        {
          "type": "CC(1/2)",
          "value": 0.438
        }
      ]
    },
    {
      "resolution_limits": [2.6,2.5],
      "number_observations_unique": 1159,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.84
        },
        {
          "type": "R(meas)",
          "value": 0.908
        },
        {
          "type": "R(pim)",
          "value": 0.341
        },
        {
          "type": "I/SigI",
          "value": 3.1
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 12.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.824
        }
      ]
    },
    {
      "resolution_limits": [2.6,2.5],
      "number_observations_unique": 1152,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.964
        },
        {
          "type": "R(meas)",
          "value": 1.044
        },
        {
          "type": "R(pim)",
          "value": 0.398
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 98.7
        },
        {
          "type": "Redundancy",
          "value": 12.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.761
        }
      ]
    },
    {
      "resolution_limits": [2.6,2.5],
      "number_observations_unique": 1161,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.967
        },
        {
          "type": "R(meas)",
          "value": 1.044
        },
        {
          "type": "R(pim)",
          "value": 0.391
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 12.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.783
        }
      ]
    }
  ]

}
  

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


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