Data quality metrics extracted from 23lq.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "bc7cfe90a0b9f1430701d9579084c177",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 43.814,
    "b": 135.661,
    "c": 95.088,
    "alpha": 90.00,
    "beta": 103.18,
    "gamma": 90.00
  },
  "wavelengths": [0.97849],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.22,2.51],
    "number_observations_unique": 35931,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.137
      },
      {
        "type": "R(meas)",
        "value": 0.140
      },
      {
        "type": "R(pim)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 9.0
      },
      {
        "type": "Completeness",
        "value": 95.0
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.61,2.51],
      "number_observations_unique": 3981,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.198
        },
        {
          "type": "R(meas)",
          "value": 4.925
        },
        {
          "type": "R(pim)",
          "value": 2.559
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Completeness",
          "value": 95.3
        },
        {
          "type": "Redundancy",
          "value": 6.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.14
        }
      ]
    }
  ]

}
  

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


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