Data quality metrics extracted from 7q7n.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": "7014d3c198611ecf8730be6f972e580b",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 102.13,
    "b": 102.13,
    "c": 237.61,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.47700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.91,2.87],
    "number_observations_unique": 28804,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.480
      },
      {
        "type": "R(meas)",
        "value": 0.517
      },
      {
        "type": "R(pim)",
        "value": 0.186
      },
      {
        "type": "I/SigI",
        "value": 3.39
      },
      {
        "type": "Completeness",
        "value": 96.97
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.935
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.973,2.87],
      "number_observations_unique": 2803,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.012
        },
        {
          "type": "R(meas)",
          "value": 2.163
        },
        {
          "type": "R(pim)",
          "value": 0.771
        },
        {
          "type": "I/SigI",
          "value": 0.98
        },
        {
          "type": "Completeness",
          "value": 96.07
        },
        {
          "type": "Redundancy",
          "value": 6.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.367
        }
      ]
    }
  ]

}
  

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


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