Data quality metrics extracted from 5w9e.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": "221d50f555bc29c4c76718ffe240b057",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 47.997,
    "b": 72.802,
    "c": 64.595,
    "alpha": 90.00,
    "beta": 98.57,
    "gamma": 90.00
  },
  "wavelengths": [0.97929],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.01,2.44],
    "number_observations_unique": 16313,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.540,2.440],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.056
        },
        {
          "type": "R(meas)",
          "value": 1.247
        },
        {
          "type": "R(pim)",
          "value": 0.656
        },
        {
          "type": "Completeness",
          "value": 88.300
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.476
        }
      ]
    },
    {
      "resolution_limits": [48.010,8.790],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "R(meas)",
          "value": 0.025
        },
        {
          "type": "R(pim)",
          "value": 0.013
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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