Data quality metrics extracted from 9wp8.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": "4ba33507b34de546f6e1da3747e2c822",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 55.640,
    "b": 63.791,
    "c": 63.856,
    "alpha": 64.456,
    "beta": 64.543,
    "gamma": 80.659
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.85],
    "number_observations_unique": 16235,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 328.8
      },
      {
        "type": "Completeness",
        "value": 95.8
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.841
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.94,2.85],
      "number_observations_unique": 1479,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.59
        }
      ]
    },
    {
      "resolution_limits": [3.05,2.94],
      "number_observations_unique": 1461,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.413
        }
      ]
    },
    {
      "resolution_limits": [3.17,3.05],
      "number_observations_unique": 1452,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.25
        }
      ]
    },
    {
      "resolution_limits": [3.31,3.17],
      "number_observations_unique": 1501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.138
        }
      ]
    },
    {
      "resolution_limits": [3.49,3.31],
      "number_observations_unique": 1470,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        }
      ]
    },
    {
      "resolution_limits": [3.71,3.49],
      "number_observations_unique": 1496,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        }
      ]
    },
    {
      "resolution_limits": [3.99,3.71],
      "number_observations_unique": 1509,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        }
      ]
    },
    {
      "resolution_limits": [4.39,3.99],
      "number_observations_unique": 1440,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        }
      ]
    },
    {
      "resolution_limits": [5.03,4.39],
      "number_observations_unique": 1510,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        }
      ]
    },
    {
      "resolution_limits": [6.33,5.03],
      "number_observations_unique": 1491,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        }
      ]
    },
    {
      "resolution_limits": [50,6.33],
      "number_observations_unique": 1426,
      "quality_factors": [

      ]
    }
  ]

}
  

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


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