Data quality metrics extracted from 7tma.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": "9b703db0845e000c3bc2c84c383d4b12",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 13.720,
    "b": 13.564,
    "c": 27.710,
    "alpha": 90.000,
    "beta": 99.044,
    "gamma": 90.000
  },
  "wavelengths": [0.68800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [13.55,1.00],
    "number_observations_unique": 20050,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 7.63
      },
      {
        "type": "Completeness",
        "value": 95.96
      },
      {
        "type": "Redundancy",
        "value": 5.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.039,1.003],
      "number_observations_unique": 469,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 7.63
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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