Data quality metrics extracted from 7lsk.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": "ec35d4319330f8b24425bde630ba5031",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 89.942,
    "b": 132.467,
    "c": 139.342,
    "alpha": 90.000,
    "beta": 97.597,
    "gamma": 90.000
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [70.76,2.70],
    "number_observations_unique": 88920,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.337
      },
      {
        "type": "R(meas)",
        "value": 0.343
      },
      {
        "type": "R(pim)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 9.7
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 25.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.75,2.70],
      "number_observations_unique": 4541,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.782
        },
        {
          "type": "R(meas)",
          "value": 3.858
        },
        {
          "type": "R(pim)",
          "value": 0.762
        },
        {
          "type": "I/SigI",
          "value": 1.50
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 25.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.365
        }
      ]
    }
  ]

}
  

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


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