Data quality metrics extracted from 8sam.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": "1da47544d413eadf77d3acc0c3d91e49",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.025,
    "b": 228.659,
    "c": 84.595,
    "alpha": 90.000,
    "beta": 100.504,
    "gamma": 90.000
  },
  "wavelengths": [1.00798],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.005,2.150],
    "number_observations_unique": 94386,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.091
      },
      {
        "type": "R(meas)",
        "value": 0.103
      },
      {
        "type": "I/SigI",
        "value": 9.1
      },
      {
        "type": "Completeness",
        "value": 86.6
      },
      {
        "type": "Redundancy",
        "value": 4.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.157,2.150],
      "number_observations_unique": 928,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.372
        },
        {
          "type": "R(meas)",
          "value": 1.555
        },
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Completeness",
          "value": 82.6
        },
        {
          "type": "Redundancy",
          "value": 4.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.376
        }
      ]
    }
  ]

}
  

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


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