Data quality metrics extracted from 8ttm.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": "68744084d0ba64a4a64b3846f75804c7",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 49.782,
    "b": 79.394,
    "c": 142.902,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.88,2.51],
    "number_observations_unique": 19700,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.240
      },
      {
        "type": "R(meas)",
        "value": 0.254
      },
      {
        "type": "R(pim)",
        "value": 0.079
      },
      {
        "type": "I/SigI",
        "value": 30.3
      },
      {
        "type": "Completeness",
        "value": 98.13
      },
      {
        "type": "Redundancy",
        "value": 10.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.6,2.51],
      "number_observations_unique": 1814,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.961
        },
        {
          "type": "R(meas)",
          "value": 1.020
        },
        {
          "type": "R(pim)",
          "value": 0.336
        },
        {
          "type": "I/SigI",
          "value": 2.25
        },
        {
          "type": "CC(1/2)",
          "value": 0.852
        }
      ]
    }
  ]

}
  

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


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