Data quality metrics extracted from 9wpp.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": "d4ef58cfe4102f56fa261a51c5df7a1b",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 46.073,
    "b": 46.073,
    "c": 309.817,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.8],
    "number_observations_unique": 5983,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.076
      },
      {
        "type": "I/SigI",
        "value": 55
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 3.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.88,2.80],
      "number_observations_unique": 463,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.53
        }
      ]
    },
    {
      "resolution_limits": [2.98,2.88],
      "number_observations_unique": 459,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.372
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.98],
      "number_observations_unique": 519,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.714
        }
      ]
    },
    {
      "resolution_limits": [3.21,3.08],
      "number_observations_unique": 493,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.358
        }
      ]
    },
    {
      "resolution_limits": [3.35,3.21],
      "number_observations_unique": 497,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.276
        }
      ]
    },
    {
      "resolution_limits": [3.53,3.35],
      "number_observations_unique": 521,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.22
        }
      ]
    },
    {
      "resolution_limits": [3.75,3.53],
      "number_observations_unique": 485,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        }
      ]
    },
    {
      "resolution_limits": [4.04,3.75],
      "number_observations_unique": 513,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        }
      ]
    },
    {
      "resolution_limits": [4.44,4.04],
      "number_observations_unique": 520,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        }
      ]
    },
    {
      "resolution_limits": [5.09,4.44],
      "number_observations_unique": 504,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        }
      ]
    },
    {
      "resolution_limits": [6.41,5.09],
      "number_observations_unique": 506,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        }
      ]
    },
    {
      "resolution_limits": [50,6.41],
      "number_observations_unique": 503,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        }
      ]
    }
  ]

}
  

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


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