Data quality metrics extracted from 7jw2.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": "d486389c993e87e1050294b08ed0069f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 39.508,
    "b": 71.584,
    "c": 83.031,
    "alpha": 90.00,
    "beta": 97.32,
    "gamma": 90.00
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.28,1.50],
    "number_observations_unique": 72680,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03341
      },
      {
        "type": "R(meas)",
        "value": 0.03775
      },
      {
        "type": "R(pim)",
        "value": 0.01727
      },
      {
        "type": "I/SigI",
        "value": 26.22
      },
      {
        "type": "Completeness",
        "value": 98.85
      },
      {
        "type": "Redundancy",
        "value": 4.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.554,1.50],
      "number_observations_unique": 6711,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1528
        },
        {
          "type": "R(meas)",
          "value": 0.1796
        },
        {
          "type": "R(pim)",
          "value": 0.09235
        },
        {
          "type": "I/SigI",
          "value": 5.74
        },
        {
          "type": "Completeness",
          "value": 91.92
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    }
  ]

}
  

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


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