Data quality metrics extracted from 7huh.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": "67bbee0bd301e1ab1c908f2e0f8603f1",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 86.795,
    "b": 56.912,
    "c": 65.120,
    "alpha": 90.00,
    "beta": 94.81,
    "gamma": 90.00
  },
  "wavelengths": [0.92208],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [64.89,1.52],
    "number_observations": 300861,
    "number_observations_unique": 49076,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.198
      },
      {
        "type": "R(meas)",
        "value": 0.216
      },
      {
        "type": "R(pim)",
        "value": 0.086
      },
      {
        "type": "I/SigI",
        "value": 5.0
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.60,1.52],
      "number_observations": 36380,
      "number_observations_unique": 7102,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.613
        },
        {
          "type": "R(meas)",
          "value": 2.900
        },
        {
          "type": "R(pim)",
          "value": 1.241
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Redundancy",
          "value": 5.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.366
        }
      ]
    }
  ]

}
  

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


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