Data quality metrics extracted from 7q7m.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": "8646dc49397d1db0873b2600c15a3f1a",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 102.21,
    "b": 102.21,
    "c": 237.71,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.47700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.95,2.55],
    "number_observations_unique": 41962,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.509
      },
      {
        "type": "R(meas)",
        "value": 0.525
      },
      {
        "type": "R(pim)",
        "value": 0.124
      },
      {
        "type": "I/SigI",
        "value": 5.93
      },
      {
        "type": "Completeness",
        "value": 99.85
      },
      {
        "type": "Redundancy",
        "value": 17.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.979
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.641,2.55],
      "number_observations_unique": 4104,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.931
        },
        {
          "type": "R(meas)",
          "value": 3.027
        },
        {
          "type": "R(pim)",
          "value": 0.739
        },
        {
          "type": "I/SigI",
          "value": 1.00
        },
        {
          "type": "Completeness",
          "value": 99.95
        },
        {
          "type": "Redundancy",
          "value": 16.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.375
        }
      ]
    }
  ]

}
  

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


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